SCHEMBL11961396

SCHEMBL11961396

Cc1c(-c2ccc(C(=O)N3CCC(O)(C(C)(C)F)CC3)s2)noc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HPGD P15428 3/20 0.33

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
SCHEMBL11357646 0.94 ALDH1A1 (0.36) YEATS4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3250254 0.93 ALDH1A1 (0.35) YEATS4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL19775106 0.87 HPGD (0.45) YEATS4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3241197 0.86 HPGD (0.44) YEATS4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL19775298 0.85 STAT3 (0.39) YEATS4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3249088 0.85 HPGD (0.51) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL3249756 0.85 NPC1 (0.50) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL19775283 0.85 STAT3 (0.35) YEATS4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3254638 0.84 SPR (0.41) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL3250593 0.84 P2RY14 (0.42) YEATS4ALDH1A1KMT2ANPC1RAB9A

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-8921399-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-12-30 US disclosed
US-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2012-08-09 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 (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-20120202786-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS MAOB, MAOA, XDH YEATS4 1515/4885ALDH1A1 254/4885KMT2A 1192/4885

“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.