SCHEMBL2087641

SCHEMBL2087641

COc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HPGD P15428 1/20 0.71
SMPD1 P17405 2/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
MRGPRX4 Q96LA9 2/20 0.60
RXRA P19793 1/20 0.59
ATM Q13315 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MTNR1A P48039 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL873776 0.94 SMPD1 (0.70) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL17769825 0.93 MAPT (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL340393 0.92 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL30141105 0.91 KMT2A (0.62) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3960907 0.91 KMT2A (0.62) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL11286951 0.90 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL2063068 0.90 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL12310508 0.89 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL242563 0.87 MRGPRX4 (0.77) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL27881765 0.87 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HPGDSMPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. 2025-01-09 US disclosed
CN-118076605-A Substituted 1H-pyrazolo [4,3-c ] quinolines, methods of preparation and uses thereof 洛蒙治疗公司 2024-05-24 CN disclosed
US-20240150317-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline GENZYME CORPORATION (US) 2024-05-09 US disclosed
US-20240124938-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2024-04-18 US disclosed
EP-4045511-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-08-24 EP disclosed
US-20220033377-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline GENZYME CORPORATION (US) 2022-02-03 US disclosed
WO-2021074392-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-04-22 WO disclosed
US-20190263782-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline GENZYME CORPORATION (US) 2019-08-29 US disclosed
US-10344015-B2 Chemical process for the synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline GENZYME CORPORATION (US) 2019-07-09 US disclosed
US-20180118716-A1 Chemical Process GENZYME CORPORATION (US) 2018-05-03 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
EP-0931119-B1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO LTD (KR) 2001-12-05 EP disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
EP-0931119-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1999-07-28 EP disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5755997-A Chiral compounds with liquid crystalline nature SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-05-26 US disclosed
WO-1998014529-A1 CHIRAL COMPOUNDS WITH LIQUID CRYSTALLINE NATURE AND FERROELECTRIC LIQUID CRYSTAL DEVICE ADOPTING THE SAME SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1998-04-09 WO disclosed
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 US disclosed
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA NPC1 3532/4885RAB9A 1591/4885SMN1; SMN2 3955/4885
US-20220033377-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline CYP3A4, CYP3A7, CYP4B1 NPC1 3167/4885RAB9A 537/4885SMN1; SMN2 4490/4885
US-20240124938-A1 VISUAL DETECTION OF PBD INDUCED DNA CROSSLINKS LIG4, PCNA, ERCC5 NPC1 4828/4885RAB9A 4245/4885SMN1; SMN2 3744/4885
US-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF FLT3, PDXK, PHKG1 NPC1 2810/4885RAB9A 2667/4885SMN1; SMN2 3960/4885
US-20240150317-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline CYP3A4, CYP3A7, CYP4B1 NPC1 3167/4885RAB9A 537/4885SMN1; SMN2 4490/4885
US-20190263782-A1 Chemical Process for the Synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline CYP3A4, CYP3A7, CYP4B1 NPC1 3167/4885RAB9A 537/4885SMN1; SMN2 4490/4885
US-10344015-B2 Chemical process for the synthesis of 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline CYP3A4, CYP3A7, CYP4B1 NPC1 3160/4885RAB9A 597/4885SMN1; SMN2 4527/4885
US-20180118716-A1 Chemical Process CYP3A4, CYP3A5, CYP3A7 NPC1 2914/4885RAB9A 560/4885SMN1; SMN2 4520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.