SCHEMBL10272980

SCHEMBL10272980

O=C(c1ccncc1Br)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HPGD P15428 8/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL3 Q96JM7 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 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
SCHEMBL22683855 0.97 GAA (0.44) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL16115677 0.81 KDM4E (0.46) GAAHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL17438482 0.80 KDM4E (0.45) GAAHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL17438763 0.80 KDM4E (0.49) GAAHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL7456642 0.80 ALDH1A1 (0.56) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL22684100 0.80 GAA (0.41) GAAKMT2AMEN1POLB
SCHEMBL17438783 0.79 KDM4E (0.48) GAAHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL8257601 0.79 HPGD (0.54) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL22684241 0.78 GAA (0.47) GAAALDH1A1KMT2AMEN1L3MBTL3
SCHEMBL24568978 0.77 HPGD (0.51) HPGDALDH1A1KMT2AMEN1CYP2C9

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 9 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
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 GAA 1868/4885HPGD 124/4885ALDH1A1 126/4885

“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.