SCHEMBL7796817

SCHEMBL7796817

C[C@H](NC(=O)N1CCc2sc(C(=O)NO)cc2C1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.55
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KDM1A O60341 4/20 0.43
MAPK1 P28482 3/20 0.42
MCHR1 Q99705 1/20 0.42
GRIN2B Q13224 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KIT P10721 1/20 0.40
ACACB O00763 1/20 0.40
CDK2 P24941 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
SCHEMBL12883097 1.00 HDAC6 (0.55) HDAC6PRMT5WDR77KDM1AMAPK1
SCHEMBL16220625 0.92 HDAC6 (0.55) HDAC6PRMT5WDR77MAPK1MCHR1
SCHEMBL7787425 0.92 HDAC6 (0.55) HDAC6PRMT5WDR77MAPK1MCHR1
SCHEMBL1174506 0.79 HDAC6 (0.61) HDAC6PRMT5WDR77KDM1A
SCHEMBL7797683 0.79 KMT2A (0.60) HDAC6PRMT5WDR77KDM1AMAPK1
SCHEMBL1175185 0.73 RAB9A (0.60) HDAC6MAPK1ALDH1A1TP53
SCHEMBL7794886 0.72 HDAC6 (0.62) HDAC6PRMT5WDR77KDM1AMAPK1
SCHEMBL1173977 0.72 HDAC6 (1.00) HDAC6PRMT5WDR77KDM1AMAPK1
SCHEMBL7801235 0.71 HDAC1 (0.48) HDAC6ALDH1A1
SCHEMBL7795317 0.71 HDAC1 (0.48) HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (2 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885

“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.