SCHEMBL22746474

SCHEMBL22746474

O=C(/C=C/c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2s1)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
ADAM17 P78536 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ESR1 P03372 1/20 0.48
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL22718576 0.90 TRPV1 (0.52) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL22718799 0.89 TRPV1 (0.54) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL22718795 0.89 TRPV1 (0.54) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL22718546 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL22718542 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL29427191 0.84 TRPV1 (0.48) TRPV1ESR1MAPTXBP1NPSR1
SCHEMBL22718709 0.81 HDAC6 (0.55) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL22718705 0.81 HDAC6 (0.55) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL29427185 0.81 HDAC6 (0.55) TRPV1HDAC1HDAC3HDAC8HDAC6
SCHEMBL22718537 0.79 TRPV1 (0.55) TRPV1HDAC1HDAC3HDAC8HDAC6

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-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-07-07 US disclosed
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 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 (1 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-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF HNRNPF, RBM3, RBM15 TRPV1 4640/4885HDAC1 1875/4885HDAC3 1500/4885

“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.