SCHEMBL1492533

SCHEMBL1492533

NC(=O)C(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM3 P20309 4/20 0.49
CHRM2 P08172 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.45
KIF11 P52732 1/20 0.45
AKR1B1 P15121 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
SCHEMBL4248432 0.83 HIF1A (0.55) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11611268 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
SCHEMBL11611265 0.80 CYP1A2 (0.50) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
SCHEMBL28193690 0.80 CYP1A2 (0.55) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
SCHEMBL11021099 0.79 MAPT (0.52) HIF1ACYP2C19CHRM3CHRM2LMNA
SCHEMBL20546662 0.78 CYP1A2 (0.48) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
SCHEMBL27979604 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ACYP1A2CYP2C9CYP2C19
SCHEMBL3350095 0.78 CHRM3 (0.50) HIF1ACYP2C19CHRM3CHRM2LMNA
SCHEMBL10685798 0.78 CHRM3 (0.50) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL8071145 0.78 CHRM3 (0.50) CHRM3CHRM2LMNACYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264703-A mesylate salt of 5- (2- { [6- (2, 2-difluoro-2-phenylethoxy) hexyl ] amino } -1-hydroxyethyl) -8-hydroxyquinolin-2 (1H) -one as beta 2 adrenoreceptor agonist 2011-11-30 CN claimed
US-20160158375-A1 DIPEPTIDE LINKED MEDICINAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-06-09 US disclosed
EP-2739616-A1 PYRIDIN-2(1H)-ONE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2014-06-11 EP disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
CN-103288729-A 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-l-hydroxyethyl)-8-hydroxyquin olin-2(1h)-one and its use in the treatment of pulmonary diseases ALMIRALL SA 2013-09-11 CN disclosed
CN-103228654-A Imidazo [1,2-b] pyridazine and imidazo [4,5-b] pyridine derivatives as JAK inhibitors ALMIRALL SA 2013-07-31 CN disclosed
US-20130137849-A1 DIPEPTIDE LINKED MEDICINAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-05-30 US disclosed
EP-2588127-A1 DIPEPTIDE LINKED MEDICINAL AGENTS Indiana University Research and Technology Corporation (US) 2013-05-08 EP disclosed
CN-102933583-A Heteroaryl imidazolone derivatives as JAK inhibitors ALMIRALL SA 2013-02-13 CN disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 WO disclosed
CN-1416424-A Substituted 3-phenyl-5-alkoxi-1,3,4-oxdiazol-2-one and use thereof for inhibiting hormone-sensitive lipase AVENTIS PHARMA DENTSCHLAND GMD (DE) 2003-05-07 CN disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO 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-20130137849-A1 DIPEPTIDE LINKED MEDICINAL AGENTS DNPEP, PEPD, CNDP2 SMN1; SMN2 2517/4885HIF1A 1467/4885CYP1A2 3082/4885
US-20160158375-A1 DIPEPTIDE LINKED MEDICINAL AGENTS DNPEP, PEPD, CNDP2 SMN1; SMN2 2517/4885HIF1A 1467/4885CYP1A2 3082/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO SMN1; SMN2 3101/4885HIF1A 1325/4885CYP1A2 1916/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 SMN1; SMN2 4242/4885HIF1A 662/4885CYP1A2 1151/4885

“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.