SCHEMBL3050683

SCHEMBL3050683

Nc1cnc2c(Br)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
FGFR1 P11362 1/20 0.38
KDM4E B2RXH2 5/20 0.38
PSMD14 O00487 2/20 0.38
COPS5 Q92905 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NOS1 P29475 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 4/20 0.37
PDPK1 O15530 1/20 0.36
STAMBP O95630 1/20 0.36

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
SCHEMBL3060889 0.78 KDM4E (0.37) KDM4EPSMD14COPS5ALDH1A1HSD17B10
SCHEMBL3704824 0.78 KDM4E (0.62) KDM4ETSHRPDPK1HDAC8
SCHEMBL4157022 0.78 SMN1; SMN2 (0.42) KDM4EPSMD14COPS5ALDH1A1HSD17B10
SCHEMBL19343131 0.78 KDM4E (0.44) FGFR1KDM4EPSMD14COPS5ALDH1A1
SCHEMBL3064498 0.78 NR4A2 (0.46) FGFR1KDM4EPSMD14COPS5ALDH1A1
SCHEMBL31058344 0.78 CCR1 (0.52) KDM4EALDH1A1HSD17B10TP53HSP90AA1
SCHEMBL1073946 0.78 CCR1 (0.52) KDM4EALDH1A1HSD17B10TP53HSP90AA1
SCHEMBL3713340 0.76 BACE1 (0.41) BACE1KDM4EPSMD14COPS5NOS1
SCHEMBL3558158 0.76 BACE1 (0.41) BACE1KDM4EPSMD14COPS5NOS1
SCHEMBL2850764 0.76 PSMD14 (0.65) BACE1KDM4EPSMD14COPS5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN disclosed
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 BACE1 1360/4885FGFR1 621/4885KDM4E 2229/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 BACE1 1360/4885FGFR1 621/4885KDM4E 2229/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 BACE1 1341/4885FGFR1 767/4885KDM4E 2279/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 BACE1 3606/4885FGFR1 471/4885KDM4E 1771/4885

“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.