SCHEMBL442179

SCHEMBL442179

COc1ccc(-c2ccnc(Cl)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
MAPT P10636 2/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CYP2A6 P11509 2/20 0.44
ADORA2B P29275 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FYN P06241 1/20 0.42
CYP11B1 P15538 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
KMO O15229 1/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 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
SCHEMBL3235453 0.79 CYP19A1 (0.46) CYP19A1MKNK1MKNK2CYP2A6PDGFRB
SCHEMBL27111217 0.79 MAPT (0.47) CYP19A1MAPTCYP2A6KMO
SCHEMBL21019859 0.78 ALDH1A1 (0.51) CYP19A1MAPTMKNK1MKNK2CYP2A6
SCHEMBL442646 0.78 HPGDS (0.42) MAPTCYP2A6KMOMAPK1PIK3CD
SCHEMBL212750 0.78 NPC1 (0.61) MAPTCYP2A6PIK3CAPIK3CBPIK3CG
SCHEMBL445253 0.78 CYP2A6 (0.47) MAPTCYP2A6KMOMAPK1PIK3CD
SCHEMBL23365183 0.75 CYP3A4 (0.48) CYP19A1MAPTMKNK2ADORA2BPDGFRB
SCHEMBL17153246 0.75 GABRA1 (0.39) MAPTKMOPIK3CDPIK3CAPIK3CB
SCHEMBL8151919 0.75 PIK3CG (0.55) MAPTADORA2BPIK3CAPIK3CBPIK3CG
SCHEMBL31390937 0.75 MAPT (0.47) MAPTCYP2A6KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CYP19A1 840/4885MAPT 4852/4885MKNK1 4753/4885

“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.