SCHEMBL446238

SCHEMBL446238

NC(=O)c1c(C(=O)O)ccc2c1CC(NC(=O)/C=C/c1cccnc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.58
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
NAMPT P43490 4/20 0.38
PFKFB3 Q16875 1/20 0.38
C3AR1 Q16581 1/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL443721 1.00 HDAC8 (0.58) HDAC8KDM4EMAPTNPC1RAB9A
SCHEMBL443720 0.74 HDAC8 (1.00) HDAC8NAMPT
SCHEMBL443719 0.74 HDAC8 (1.00) HDAC8NAMPT
SCHEMBL447007 0.73 HDAC8 (0.59) HDAC8
SCHEMBL445407 0.73 HDAC8 (0.50) HDAC8KDM4E
SCHEMBL14069904 0.73 NAMPT (0.58) HDAC8KDM4EMAPTNPC1RAB9A
SCHEMBL444654 0.72 HTR1A (0.39) MAPTCYP1A2CYP2C9
SCHEMBL447087 0.71 HTR1A (0.38) HDAC8MAPTCYP1A2CYP2C9
SCHEMBL442641 0.71 HDAC8 (0.52) HDAC8KDM4ENPC1RAB9A
SCHEMBL444974 0.67 HDAC8 (0.59) HDAC8KDM4EMAPTCYP1A2

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
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

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 HDAC8 304/4885KDM4E 1251/4885MAPT 4852/4885

“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.