SCHEMBL15701601

SCHEMBL15701601

CC(C)c1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 7/20 0.53
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
POLB P06746 1/20 0.46
CTSB P07858 1/20 0.46
TSHR P16473 2/20 0.44
GPR35 Q9HC97 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL26656754 0.89 TDP1 (0.55) TDP1ALDH1A1GAASMN1; SMN2CTSB
SCHEMBL57166 0.82 TDP1 (1.00) TDP1ALDH1A1GAASMN1; SMN2NCOA1
SCHEMBL29475175 0.82 TDP1 (1.00) TDP1ALDH1A1GAASMN1; SMN2NCOA1
SCHEMBL254406 0.80 ALDH1A1 (0.56) TDP1ALDH1A1GAASMN1; SMN2POLB
SCHEMBL30800630 0.80 ALDH1A1 (0.56) TDP1ALDH1A1GAASMN1; SMN2POLB
Methyl Alcohol SCHEMBL28304524 0.80 TDP1 (0.86) TDP1ALDH1A1GAASMN1; SMN2NCOA1
SCHEMBL28093598 0.80 TDP1 (0.95) TDP1ALDH1A1GAASMN1; SMN2NCOA1
SCHEMBL11795966 0.79 TSHR (0.58) TDP1ALDH1A1GAASMN1; SMN2POLB
SCHEMBL13902996 0.79 TDP1 (0.50) TDP1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL12767842 0.79 TDP1 (0.67) TDP1ALDH1A1SMN1; SMN2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 TDP1 3403/4885ALDH1A1 2963/4885GAA 1774/4885

“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.