SCHEMBL527341

SCHEMBL527341

COC(=O)c1cc([N+](=O)[O-])ccc1-c1cnccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP17A1 P05093 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL9068677 0.84 ALDH1A1 (0.54) ALDH1A1MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL10272852 0.82 PDGFRB (0.43) ALDH1A1MAPTPOLBSMN1; SMN2GLA
SCHEMBL527037 0.80 GAA (0.52) CYP46A1ALDH1A1KDM4EGAAGLA
SCHEMBL15973061 0.80 KMT2A (0.50) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL25309572 0.77 POLB (0.48) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL31452247 0.77 POLB (0.48) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL1319532 0.77 ALDH1A1 (0.55) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL527993 0.77 PDE4B (0.48) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL21050100 0.77 MEN1 (0.52) CYP46A1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30180459 0.77 ALDH1A1 (0.46) CYP46A1ALDH1A1MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-8916553-B2 Sulfonamide compounds useful as CYP17 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-23 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 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-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CYP46A1 75/4885ALDH1A1 126/4885MAPT 4599/4885

“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.