SCHEMBL441672

SCHEMBL441672

NC(=O)N1CC(NC(=O)c2ccc(Cl)c(Cl)c2)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.48
TSHR P16473 1/20 0.43
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
EPHX2 P34913 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
UTS2R Q9UKP6 5/20 0.39
CHRNA7 P36544 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BCAT2 O15382 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
SRD5A2 P31213 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
SCHEMBL445526 0.89 CA12 (0.47) HDAC8TSHRCHRNA7MEN1KMT2A
SCHEMBL445402 0.87 HDAC8 (0.50) HDAC8MEN1KMT2APOLBMAPT
SCHEMBL444289 0.83 MEN1 (0.50) HDAC8MEN1KMT2ASMYD3
SCHEMBL443999 0.81 HDAC8 (0.52) HDAC8TSHRMEN1KMT2AMAPT
SCHEMBL444917 0.81 HDAC8 (0.52) HDAC8TAS1R3TAS1R2MEN1KMT2A
SCHEMBL444812 0.76 HDAC8 (0.61) HDAC8
SCHEMBL446231 0.75 KDM4E (0.41) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL443508 0.74 HDAC8 (0.52) HDAC8MAPT
SCHEMBL461269 0.73 HDAC8 (0.85) HDAC8TSHRPYGLPYGMTAS1R3
SCHEMBL443678 0.69 HDAC8 (0.54) HDAC8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US claimed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
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 HDAC8 304/4885TSHR 3382/4885PYGL 2258/4885

“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.