SCHEMBL527121

SCHEMBL527121

O=[N+]([O-])c1ccc(-c2cnccc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPT P10636 7/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
XDH P47989 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL18448507 0.87 CHRNB2 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL16472053 0.80 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10273182 0.79 KMT2A (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL18448270 0.78 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL21803712 0.77 MEN1 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4534621 0.77 MAPK14 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL27985954 0.75 ALDH1A1 (0.54) MEN1KMT2APOLBLMNAL3MBTL1
SCHEMBL3447074 0.74 MAPT (0.62) MEN1KMT2ACYP3A4MAPTNPC1
SCHEMBL31463570 0.73 CYP19A1 (0.52) CYP1A2CYP3A4CYP2C19MAPTNPC1
SCHEMBL14134199 0.73 SLC22A12 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C19

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 MEN1 3843/4885KMT2A 1896/4885CYP1A2 14/4885

“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.