SCHEMBL7795801

SCHEMBL7795801

O=C(NO)c1cc2c(s1)CN(C(=O)Nc1cc(C(F)(F)F)ccc1F)CC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.53
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
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDM1A O60341 4/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL7795388 0.92 HDAC6 (0.53) HDAC6NPC1RAB9ACSNK1EMEN1
SCHEMBL12868896 0.86 HDAC6 (0.55) HDAC6NPC1RAB9AKDM1A
SCHEMBL1173948 0.83 HDAC6 (0.54) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL1174049 0.79 HDAC6 (0.60) HDAC6MEN1TSHRKMT2APRMT5
SCHEMBL7794946 0.77 HDAC6 (0.56) HDAC6NPC1RAB9APRMT5WDR77
SCHEMBL7797507 0.77 HDAC6 (0.53) HDAC6
SCHEMBL1175219 0.76 HDAC6 (0.61) HDAC6TSHRPRMT5WDR77KDM1A
SCHEMBL7798858 0.75 HDAC6 (0.56) HDAC6PRMT5WDR77KDM1A
SCHEMBL1173982 0.74 HDAC6 (0.58) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL7796918 0.73 HDAC6 (0.57) HDAC6TSHRPRMT5WDR77KDM1A

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 3 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
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 1/4885NPC1 1431/4885RAB9A 2388/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885NPC1 1431/4885RAB9A 2388/4885

“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.