SCHEMBL7795388

SCHEMBL7795388

O=C(NO)c1cc2c(s1)CCN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.53
KDM1A O60341 6/20 0.46
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CSNK1E P49674 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TMPRSS4 Q9NRS4 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
SCHEMBL7795801 0.92 HDAC6 (0.53) HDAC6KDM1APRMT5WDR77NPC1
SCHEMBL12868896 0.78 HDAC6 (0.55) HDAC6KDM1ANPC1RAB9A
SCHEMBL7795783 0.77 HDAC6 (0.53) HDAC6KDM1A
SCHEMBL1173948 0.75 HDAC6 (0.54) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL1175221 0.72 PRMT5 (0.52) HDAC6KDM1APRMT5WDR77MEN1
SCHEMBL1174458 0.71 HDAC6 (0.66) HDAC6PRMT5WDR77
SCHEMBL1174049 0.71 HDAC6 (0.60) HDAC6PRMT5WDR77MEN1TSHR
SCHEMBL7798751 0.70 CCR1 (0.37) HDAC6
SCHEMBL1173977 0.70 HDAC6 (1.00) HDAC6KDM1APRMT5WDR77
SCHEMBL7797683 0.69 KMT2A (0.60) HDAC6KDM1APRMT5WDR77NPC1

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 5 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-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
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 1/4885KDM1A 188/4885PRMT5 821/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM1A 188/4885PRMT5 821/4885

“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.