SCHEMBL7794946

SCHEMBL7794946

O=C(NO)c1cc2c(s1)CN(C(=O)Cc1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.56
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
KDM1A O60341 4/20 0.44
CNR1 P21554 3/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1175271 0.91 HDAC6 (0.64) HDAC6PRMT5WDR77KDM1ANPC1
SCHEMBL12869052 0.86 HDAC6 (0.60) HDAC6PRMT5WDR77KDM1ANPC1
SCHEMBL1174049 0.84 HDAC6 (0.60) HDAC6PRMT5WDR77
SCHEMBL1173817 0.83 HDAC6 (0.50) HDAC6PRMT5WDR77
SCHEMBL1174101 0.83 HDAC6 (0.58) HDAC6PRMT5WDR77KDM1ANPC1
SCHEMBL1263356 0.81 HDAC6 (0.61) HDAC6KDM1ANPC1RAB9A
SCHEMBL1174166 0.79 HDAC6 (0.51) HDAC6PRMT5WDR77KDM1A
SCHEMBL1175219 0.78 HDAC6 (0.61) HDAC6PRMT5WDR77KDM1A
SCHEMBL1175397 0.77 KDM4E (0.54) HDAC6PRMT5WDR77
SCHEMBL7795801 0.77 HDAC6 (0.53) HDAC6PRMT5WDR77KDM1ANPC1

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 1/4885PRMT5 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.