SCHEMBL14703271

SCHEMBL14703271

CC(=O)c1ccc(-c2nc3c(s2)-c2sc(-c4ccc(C(=O)C(F)(F)F)cc4)nc2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
MAP2K4 P45985 1/20 0.36
KIF11 P52732 1/20 0.35
CES1 P23141 1/20 0.35
MLYCD O95822 2/20 0.35
HDAC1 Q13547 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12973019 0.93 IDO1 (0.40) HDAC6RARARARBRARGIDO1
SCHEMBL12973017 0.89 RARA (0.46) RARARARBRARGPIK3CDPIK3CA
SCHEMBL12973012 0.75 IDO1 (0.36) RARARARBRARGIDO1TDO2
SCHEMBL14703254 0.75 HDAC6 (0.43) HDAC6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12973020 0.74 IDO1 (0.42) IDO1TDO2RAB9A
SCHEMBL12993232 0.72 HDAC6 (0.75) HDAC6KIF11CES1MLYCDHDAC1
SCHEMBL12973015 0.71 PTGS2 (0.54) IDO1TDO2
SCHEMBL3101373 0.70 HDAC6 (0.69) HDAC6KIF11HDAC1RAB9A
SCHEMBL16093122 0.70 MLYCD (0.38) HDAC6RARBRARGMLYCD
SCHEMBL13801091 0.69 MAPT (0.48) HDAC6RARARARBRARGPIK3CD

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-8859717-B2 Nitrogen-containing fused ring compound, nitrogen-containing fused ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-14 US disclosed
US-20130041123-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, NITROGEN-CONTAINING FUSED RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2013-02-14 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-20130041123-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, NITROGEN-CONTAINING FUSED RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT NOM1, NOS1, MNS1 HDAC6 3342/4885RARA 4299/4885RARB 4400/4885

“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.