SCHEMBL6774791

SCHEMBL6774791

COc1cccc(NC(C)=O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.55
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51
ADORA2B P29275 2/20 0.51
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
MCL1 Q07820 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NAMPT P43490 1/20 0.48
GAA P10253 1/20 0.48
NFE2L2 Q16236 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 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
SCHEMBL3225418 0.86 BRD4 (0.55) BRD4KMT2AMEN1KDM4EALDH1A1
SCHEMBL19459408 0.84 KCNK3 (0.47) BRD4KMT2AHTTADORA3ADORA2A
SCHEMBL3739876 0.84 BRD4 (0.53) BRD4KMT2AKDM4EALDH1A1MAPK1
SCHEMBL8493065 0.84 ALDH1A1 (0.59) BRD4KMT2AHTTKDM4EALDH1A1
SCHEMBL28046011 0.83 ALDH1A1 (0.55) BRD4KMT2AHTTMEN1ALDH1A1
SCHEMBL171580 0.83 KMT2A (0.70) BRD4KMT2AHTTMEN1KDM4E
SCHEMBL30356246 0.83 KMT2A (0.70) BRD4KMT2AHTTMEN1KDM4E
SCHEMBL14046286 0.82 ALDH1A1 (0.61) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL10874427 0.82 KMT2A (0.51) BRD4KMT2AHTTMEN1KDM4E
SCHEMBL1141399 0.82 P2RX7 (0.53) BRD4KMT2AHTTMEN1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727307-A Compound and its application method 安吉奥斯医药品有限公司 2018-11-02 CN disclosed
CN-104936954-B Compounds and methods of use thereof 安吉奥斯医药品有限公司 2018-08-14 CN disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-6750349-B2 SUPERIOR GASTROKINETIC PROPERTIES JANSSEN PHARMACEUTICS, N.V. (BE) 2004-06-15 US disclosed
EP-1000028-B1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 EP disclosed
US-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-04-24 US disclosed
US-6452013-B1 FOR TREATING CONDITIONS WHICH ARE RELATED TO IMPAIRMENT OF GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US disclosed
EP-0880500-B1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-07-31 EP disclosed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-6096761-A REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-01 US disclosed
EP-1000028-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
WO-1999002494-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed
EP-0880500-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997030031-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-21 WO disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed
WO-1995030651-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES CIBA-GEIGY AG (CH) 1995-11-16 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 (1 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-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, ALK, CBR1 BRD4 2338/4885KMT2A 2566/4885HTT 521/4885

“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.