SCHEMBL7796732

SCHEMBL7796732

CN(C)CCNC(=O)N1Cc2cc(C(=O)NO)sc2C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.40
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.36
HTR2C P28335 1/20 0.36
CA2 P00918 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL1174109 0.82 NAMPT (0.46) NAMPTHDAC6KDM4EALDH1A1LMNA
SCHEMBL7789527 0.80 HDAC1 (0.47) NAMPTMEN1KMT2AHDAC6KDM4E
SCHEMBL7796730 0.78 HDAC6 (0.46) HDAC6ALDH1A1HPGDMAPK1
SCHEMBL7799029 0.74 NPC1 (0.52) NAMPTMEN1KMT2AHDAC6KDM4E
SCHEMBL12869062 0.74 HDAC6 (0.39) NAMPTHDAC6ALDH1A1MAPK1
SCHEMBL7801296 0.74 HDAC6 (0.41) NAMPTHDAC6ALDH1A1
SCHEMBL7797154 0.73 HDAC6 (0.42) NAMPTHDAC6ALDH1A1
SCHEMBL1174479 0.73 HDAC1 (0.48) NAMPTKMT2AHDAC6ALDH1A1
SCHEMBL7795317 0.73 HDAC1 (0.48) NAMPTHDAC6ALDH1A1
SCHEMBL7799965 0.73 NAMPT (0.52) NAMPT

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 2 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
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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NAMPT 1262/4885MEN1 3742/4885RAD52 4087/4885

“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.