SCHEMBL70373

SCHEMBL70373

[c]1cc(-c2ccccc2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
ALDH1A1 P00352 4/20 0.38
NOTUM Q6P988 3/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL5965271 0.96 RAB9A (0.39) RAB9ANPC1ALDH1A1NOTUMALOX15
SCHEMBL2825141 0.78 NPC1 (0.39) RAB9ANPC1ALDH1A1NOTUMTSHR
SCHEMBL6474512 0.78 CYP2A6 (0.50) RAB9ANPC1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL1222495 0.78 SMPD1 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL2492199 0.77 TDO2 (0.42) RAB9ANPC1NOTUMTSHRSMN1; SMN2
SCHEMBL3677936 0.73 NOTUM (0.45) RAB9ANPC1ALDH1A1NOTUMNR1H4
SCHEMBL3683732 0.71 NPC1 (0.39) RAB9ANPC1ALDH1A1NOTUMSMN1; SMN2
SCHEMBL69494 0.71 RAB9A (0.45) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5965141 0.71 NPC1 (0.42) RAB9ANPC1ALDH1A1NOTUMSMN1; SMN2
SCHEMBL2821900 0.71 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1ALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850253-B 5-Phenylisoxazol-3-yl derivatives and application thereof in preparation of antitumor drugs 吉林医药学院 2024-04-26 CN claimed
CN-115850253-A 5-phenylisoxazol-3-yl derivative and application thereof in preparation of antitumor drugs 吉林医药学院 2023-03-28 CN claimed
CN-114315670-A SIRT2/HDAC6 dual-target inhibitor and application thereof 贵州医科大学 2022-04-12 CN claimed
CN-106117156-B compound containing 5-phenyl isoxazole stilbenoid group and preparation method thereof 南通大学 2019-12-17 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 CN claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2012-10-25 US claimed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN claimed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP claimed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
CN-1134697-A Pyrimidine-sulfanyl and alkyl ether compounds UPJOHN CO (US) 1996-10-30 CN claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO claimed
EP-0017738-B1 AN INSECTICIDAL AND MITICIDAL COMPOSITION WHICH CONTAINS A CARBAMATE AND AN ORGANIC PHOSPHORUS COMPOUND, AND A METHOD OF CONTROLLING INSECTS AND MITES THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-08 EP claimed
US-4183856-A FROM HETEROAROMATIC SECONDARY AMINES AND CARBAMOYL HALOGENIDES IN THE PRESENCE OF A LEWIS ACID SHIONOGI & CO., LTD. (JP) 1980-01-15 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A RAB9A 1172/4885NPC1 653/4885ALDH1A1 953/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A RAB9A 1172/4885NPC1 653/4885ALDH1A1 953/4885
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto HTR5A, HTR2A, HTR1A RAB9A 1172/4885NPC1 653/4885ALDH1A1 953/4885

“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.