SCHEMBL5963546

SCHEMBL5963546

Nc1ccc(C(=O)c2ccccc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58
MAPK14 Q16539 1/20 0.58
PBRM1 Q86U86 1/20 0.55
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
SRD5A2 P31213 1/20 0.51
ALOX15 P16050 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 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
Chlorobenzene SCHEMBL27529703 0.95 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14PBRM1
SCHEMBL7183309 0.89 SRD5A2 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7194395 0.88 HSD17B10 (0.58) MAPK13MAPK12MAPK11MAPK14PBRM1
SCHEMBL1149168 0.86 SRD5A2 (0.60) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6732727 0.86 PBRM1 (0.55) MAPK13MAPK12MAPK11MAPK14PBRM1
SCHEMBL11710988 0.85 ALOX15 (0.52) MAPK13MAPK12MAPK11MAPK14PBRM1
SCHEMBL7090488 0.85 JAK2 (0.53) MAPTGAASRD5A2ALOX15MEN1
SCHEMBL8309451 0.83 JAK2 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3531609 0.83 SRD5A2 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL29088628 0.83 MAPT (0.51) MAPK13MAPK12MAPK11MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674197-A Aurora kinase A inhibitor and preparation and application thereof 兰州大学 2017-05-17 CN claimed
CN-106674197-A Aurora kinase A inhibitor and preparation and application thereof 兰州大学 2017-05-17 CN disclosed
CN-102126994-B Benzophenone hydrazone derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2014-07-09 CN disclosed
CN-100477340-C Composite bodies used as separators in electrochemical cells BASF AG (DE) 2009-04-08 CN disclosed
US-6991874-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
CN-1146588-C Compositions suitable for use in electrochemical cells BASF 2004-04-21 CN disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
US-6632561-B1 Particles and dual binder composed of crosslinkable and nonreactive polymers; high temperature dimensional stability; increased lithium ion conductivity BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
EP-1088007-B1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AG (DE) 2003-02-26 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0849300-A1 Polyurethanes with covalently bound photoinitiator-units BASF AKTIENGESELLSCHAFT (DE) 1998-06-24 EP disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed
US-4980349-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTICOAGULANTS SANOFI (FR) 1990-12-25 US disclosed
US-4026697-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed
US-3988300-A FOR CONTROLLING BROADLEAF WEEDS AND GRASSES AMERICAN CYANAMID COMPANY (US) 1976-10-26 US 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-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPK13 4253/4885MAPK12 3798/4885MAPK11 4308/4885

“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.