SCHEMBL4685498

SCHEMBL4685498

COC(=O)c1ccc(N)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 4/20 0.61
CFTR P13569 2/20 0.61
KDM4E B2RXH2 8/20 0.51
GAA P10253 5/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
GLA P06280 3/20 0.51
ATM Q13315 3/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
BRD4 O60885 2/20 0.50
ABL1 P00519 1/20 0.50
TSHR P16473 2/20 0.49
NR4A2 P43354 2/20 0.49
ALOX15 P16050 2/20 0.49
CREBBP Q92793 1/20 0.49
LMNA P02545 2/20 0.48
IDO1 P14902 1/20 0.48
EP300 Q09472 1/20 0.47

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
SCHEMBL31758437 1.00 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRKDM4EGAA
Hydrochloric Acid SCHEMBL27808204 0.98 ALDH1A1 (0.59) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL8416022 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL29434198 0.88 BRD4 (0.59) ALDH1A1HSD17B10CFTRKDM4EMAPT
SCHEMBL70381 0.88 BRD4 (0.59) ALDH1A1HSD17B10CFTRKDM4EMAPT
SCHEMBL1025155 0.85 IDO1 (0.47) ALDH1A1HSD17B10CFTRKDM4EMAPT
SCHEMBL5749605 0.83 ATM (0.56) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL31049726 0.81 BRD4 (0.53) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL31049722 0.81 BRD4 (0.53) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL5750893 0.81 BRD4 (0.53) ALDH1A1HSD17B10CFTRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102361863-B Novel bicyclic antibiotics BASILEA PHARMACEUTICA AG 2014-12-03 CN disclosed
CN-102143940-B Cyclohexyl amide derivatives as CRF-1 receptor antagonists and uses thereof NOVARTIS AG 2014-04-16 CN disclosed
CN-102361863-A Novel bicyclic antibiotics BASILEA PHARMACEUTICA AG 2012-02-22 CN disclosed
CN-101146768-B Method for producing sulfamate-carboxylate derivative SHIONOGI & CO 2012-01-25 CN disclosed
CN-101421251-B 4,5-diphenyl-pyrimidinyl-amino substituted carboxylic acids, method for the production and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND 2011-10-19 CN disclosed
CN-102105485-A Selective caspase inhibitors and uses thereof NEW WORLD LAB INC 2011-06-22 CN disclosed
CN-102056918-A Pyrrolidine ether derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2011-05-11 CN disclosed
CN-101421251-A 4,5-diphenyl-pyrimidinyl-amino substituted carboxylic acids, method for the production and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (FR) 2009-04-29 CN disclosed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
CN-101146768-A Method for producing sulfamate-carboxylate derivative SHIONOGI & CO (JP) 2008-03-19 CN disclosed
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 US disclosed
EP-1414795-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-05-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 WO disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
CN-1305454-A Anthranilic acid derivatives as inhibitors of CGMP phosphodiesterase FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-25 CN 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 (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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 ALDH1A1 622/4885HSD17B10 1277/4885CFTR 4164/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 763/4885HSD17B10 106/4885CFTR 3149/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA ALDH1A1 763/4885HSD17B10 106/4885CFTR 3149/4885

“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.