SCHEMBL4768172

SCHEMBL4768172

O=C(NC1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
HPGD P15428 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 1/20 0.70
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.61
EPHX1 P07099 1/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 1/20 0.59
EPHX2 P34913 1/20 0.57

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
SCHEMBL2254501 1.00 NPC1 (0.70) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL4770266 0.98 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL17185341 0.95 NPC1 (0.62) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL3135552 0.91 RAB9A (0.62) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL520877 0.91 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL126657 0.91 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL28928584 0.91 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL123652 0.89 NPC1 (0.79) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL15678794 0.88 HDAC1 (0.58) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL6569847 0.87 NPC1 (0.72) NPC1RAB9AHPGDSMN1; SMN2CYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186066-A Indazole ALK5 inhibitor and preparation method and application thereof 中国药科大学 2023-12-08 CN disclosed
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (4 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 NPC1 4578/4885RAB9A 2421/4885HPGD 1216/4885
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM NPC1 2077/4885RAB9A 3717/4885HPGD 333/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPC1 4576/4885RAB9A 2304/4885HPGD 1548/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM NPC1 2077/4885RAB9A 3717/4885HPGD 333/4885

“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.