SCHEMBL1254036

SCHEMBL1254036

CN(C)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
SRC P12931 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19879702 0.87 ADRA2A (0.56) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL15981868 0.82 MAPT (0.53) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL15981857 0.82 MAPT (0.53) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL17854036 0.80 KDR (0.43) NPC1RAB9AL3MBTL1CYP3A4EGFR
SCHEMBL15014114 0.80 KMT2A (0.47) NPC1RAB9AL3MBTL1CYP3A4POLB
SCHEMBL5305710 0.80 HPGD (0.45) NPC1RAB9ACYP3A4EGFRPDGFRB
SCHEMBL12017943 0.79 NPC1 (0.60) NPC1RAB9AL3MBTL1MAPTHPGD
SCHEMBL16340275 0.79 HPGD (0.54) NPC1RAB9AL3MBTL1CYP3A4EGFR
SCHEMBL16340696 0.79 EGFR (0.51) NPC1RAB9AL3MBTL1CYP3A4EGFR
SCHEMBL16543308 0.79 EGFR (0.51) NPC1RAB9AL3MBTL1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117015712-A GPCR screening method for identifying non-magic compound 加利福尼亚大学董事会 2023-11-07 CN disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
EP-3998270-A1 ALKYNE DERIVATIVE, PREPARATION METHOD FOR SAME, AND USES THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-05-18 EP disclosed
EP-3459952-B1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARM CO LTD (CN) 2022-01-05 EP disclosed
EP-3378861-B1 ACRYLIC ACID DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2021-08-04 EP disclosed
WO-2020228436-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2020-11-19 WO disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 WO disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 NPC1 200/4885RAB9A 3489/4885L3MBTL1 826/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 NPC1 1565/4885RAB9A 4579/4885L3MBTL1 536/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 NPC1 115/4885RAB9A 3358/4885L3MBTL1 649/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 NPC1 115/4885RAB9A 3358/4885L3MBTL1 649/4885

“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.