SCHEMBL12869062

SCHEMBL12869062

[C-]#[N+]c1ccc(NC(=O)N2Cc3cc(C(=O)NO)sc3C(C)(C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
NAMPT P43490 6/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
CSNK1D P48730 6/20 0.37
CSNK1E P49674 6/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 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
SCHEMBL7799965 0.85 NAMPT (0.52) NAMPT
SCHEMBL7799029 0.85 NPC1 (0.52) HDAC6NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL7790575 0.80 ALDH1A1 (0.43) HDAC6NAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL7801296 0.80 HDAC6 (0.41) HDAC6NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL7796730 0.78 HDAC6 (0.46) HDAC6ALDH1A1MAPK1
SCHEMBL7789527 0.76 HDAC1 (0.47) HDAC6NAMPTSMN1; SMN2
SCHEMBL7790576 0.75 HDAC1 (0.48) HDAC6NAMPTALDH1A1
SCHEMBL7801235 0.75 HDAC1 (0.48) HDAC6NAMPTALDH1A1
SCHEMBL7795317 0.75 HDAC1 (0.48) HDAC6NAMPTALDH1A1
SCHEMBL7796732 0.74 NAMPT (0.40) HDAC6NAMPTALDH1A1MAPK1

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
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 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 (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 1/4885NAMPT 1262/4885TAS1R3 3620/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885NAMPT 1262/4885TAS1R3 3620/4885

“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.