SCHEMBL700764

SCHEMBL700764

Cc1cc(C(=O)O)oc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
AKR1C3 P42330 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
DAO P14920 1/20 0.45
PTGER4 P35408 2/20 0.45
MEN1 O00255 3/20 0.44
ALPG P10696 1/20 0.44

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
SCHEMBL21981937 0.81 KMT2A (0.52) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10242709 0.81 ALDH1A1 (0.50) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2172078 0.79 NPC1 (0.49) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28443819 0.79 KMT2A (0.57) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14620144 0.79 APEX1 (0.53) APEX1ALDH1A1NPC1HPGDKMT2A
SCHEMBL1450299 0.79 NPC1 (0.49) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12995249 0.77 APEX1 (0.52) APEX1ALDH1A1NPC1KMT2AKDM4E
SCHEMBL20582083 0.77 KMT2A (0.48) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13181122 0.77 TAS1R3 (0.53) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14619933 0.77 KMT2A (0.48) APEX1ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808054-A Preparation method of ionic liquid and application of ionic liquid in cyclohexanone synthesis 李孝林 2020-10-23 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
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-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US 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
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP 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
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 US claimed
CN-1933842-A Pharmaceutical compositions comprising benzodiazepine derivatives and RSV fusion protein inhibitors ARROW THERAPEUTICS LTD (GB) 2007-03-21 CN claimed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO 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 (7 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 APEX1 4418/4885ALDH1A1 953/4885NPC1 653/4885
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 APEX1 1350/4885ALDH1A1 1298/4885NPC1 849/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 APEX1 2664/4885ALDH1A1 2127/4885NPC1 567/4885
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 APEX1 4418/4885ALDH1A1 953/4885NPC1 653/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 APEX1 3192/4885ALDH1A1 2977/4885NPC1 1750/4885
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 APEX1 4418/4885ALDH1A1 953/4885NPC1 653/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 APEX1 4799/4885ALDH1A1 3840/4885NPC1 345/4885

“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.