SCHEMBL447519

SCHEMBL447519

Fc1ccc(-c2ccnc(Cl)n2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.64
NISCH Q9Y2I1 1/20 0.44
EPHB4 P54760 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B14 Q9BPX1 1/20 0.43
CASP1 P29466 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
ABL1 P00519 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7544652 0.84 KMO (0.69) KMOPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL7546258 0.81 KMO (0.63) KMOMAPTL3MBTL1TRPV3
SCHEMBL31375122 0.80 KMO (0.61) KMONISCHMAPTL3MBTL1
SCHEMBL3401396 0.80 KMO (0.47) KMOMAPTL3MBTL1
SCHEMBL3756448 0.80 KMO (0.48) KMOTRPV3CYP1A2CYP2C9CYP2C19
SCHEMBL446173 0.80 MEN1 (0.58) KMOPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL823967 0.79 MAP4K4 (0.51) KMOMAPT
SCHEMBL28374207 0.78 KMO (0.41) KMOMAPTL3MBTL1CYP1A2GAA
SCHEMBL441888 0.77 MAPT (0.59) KMOPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL16878972 0.77 KMO (0.45) KMOPIK3CAPIK3CBPIK3CGMAPT

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
CN-112574177-A Pyrimidine derivatives and application thereof in preparing antitumor drugs 陕西师范大学 2021-03-30 CN disclosed
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
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
CN-101107245-A Heteroaryl substituted piperazinyl-pyridine analogues NEUROGEN CORP (US) 2008-01-16 CN disclosed
CN-101014587-A Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-08-08 CN disclosed
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN 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 KMO 2770/4885NISCH 194/4885EPHB4 2727/4885

“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.