SCHEMBL527993

SCHEMBL527993

Cc1ccncc1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE7B Q9NP56 1/20 0.48
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 3/20 0.41
RAB9A P51151 2/20 0.41
CYP17A1 P05093 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL7079453 0.89 HSD17B10 (0.47) PDE4BPDE4DPDE7APDE7BHSD17B10
SCHEMBL2887065 0.83 ALDH1A1 (0.47) PDE4BPDE4DPDE7APDE7BHSD17B10
SCHEMBL5764154 0.82 ALDH1A1 (0.46) PDE4BPDE4DPDE7APDE7BHSD17B10
SCHEMBL10405791 0.79 HSD17B10 (0.72) PDE7AHSD17B10ALDH1A1TDP1TSHR
SCHEMBL14746480 0.79 HSD17B10 (0.53) PDE7AHSD17B10ALDH1A1TDP1TSHR
SCHEMBL16472053 0.77 MEN1 (0.53) HSD17B10ALDH1A1TDP1TSHRKMT2A
SCHEMBL19175213 0.77 PDE7A (0.61) PDE4BPDE4DPDE7APDE7BHSD17B10
SCHEMBL12797261 0.77 TDP1 (0.38) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL527341 0.77 CYP46A1 (0.46) ALDH1A1TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL526783 0.75 CYP19A1 (0.49) TDP1TSHRKMT2AMEN1MAPT

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 11 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
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 PDE4B 2537/4885PDE4D 3410/4885PDE7A 1954/4885

“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.