SCHEMBL12868546

SCHEMBL12868546

Cc1nc(C)c(C(=O)N2CCc3cc(C(=O)NO)sc3C2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.60
▸ SIGLEC9 Q9Y336 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 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
SCHEMBL1174254 0.86 HDAC6 (0.57) HDAC6SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1174519 0.83 HDAC6 (0.58) HDAC6SMN1; SMN2MEN1KMT2ANFKB1
SCHEMBL1174426 0.82 HDAC6 (0.56) HDAC6SMN1; SMN2MEN1KMT2ANFKB1
SCHEMBL1174223 0.78 HDAC6 (0.57) HDAC6KDM4EALDH1A1LMNARAB9A
SCHEMBL1174656 0.77 HDAC6 (0.58) HDAC6SMN1; SMN2MEN1KMT2ANFKB1
SCHEMBL1173866 0.77 HDAC6 (0.62) HDAC6KDM4EALDH1A1MAPTNAMPT
SCHEMBL1174337 0.76 HDAC6 (0.60) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL1174246 0.75 HDAC6 (1.00) HDAC6MEN1KMT2AALDH1A1MAPK1
SCHEMBL1175108 0.75 HDAC6 (0.60) HDAC6ALDH1A1NPC1LMNARAB9A
SCHEMBL1174015 0.75 HDAC6 (0.60) HDAC6SMN1; SMN2ALDH1A1LMNAMAPT

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 1/4885SIGLEC9 3698/4885SMN1; SMN2 500/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885SIGLEC9 3698/4885SMN1; SMN2 500/4885

“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.

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