SCHEMBL184538

SCHEMBL184538

O=c1[c]cc2ccccc2nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDPK1 O15530 1/20 0.34
NQO2 P16083 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
AHR P35869 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL466391 0.70 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL30647963 0.67 NCF1 (0.43) KDM4EGPR3MAPTALDH1A1HPGD
SCHEMBL259024 0.67 NCF1 (0.43) KDM4EGPR3MAPTALDH1A1HPGD
SCHEMBL3211 0.67 MAPT (0.39) KDM4EGPR3MAPTALDH1A1HPGD
SCHEMBL5747537 0.65 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL21195879 0.65 CYP1A2 (0.42) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL269764 0.65 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL19359 0.65 CYP1A2 (0.46) KDM4EGPR3MAPTALDH1A1HPGD
SCHEMBL529257 0.65 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL4717309 0.65 NCF1 (0.46) KDM4EMAPTALDH1A1HPGDGLA

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-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US claimed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP claimed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
JP-2011524355-A 2011-09-01 JP claimed
EP-2297103-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-23 EP claimed
WO-2009152082-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-17 WO claimed
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2297103-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
WO-2009152082-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-17 WO disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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 (2 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-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 KDM4E 3403/4885GPR3 3519/4885MAPT 212/4885
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT KDM4E 757/4885GPR3 153/4885MAPT 4490/4885

“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.