SCHEMBL12973019

SCHEMBL12973019

O=C1c2nc(-c3ccc(C(=O)C(F)(F)F)cc3)sc2-c2sc(-c3ccc(C(=O)C(F)(F)F)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
CES1 P23141 1/20 0.40
MAP2K4 P45985 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MLYCD O95822 3/20 0.36
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL14703271 0.93 HDAC6 (0.48) IDO1TDO2RARARARBRARG
SCHEMBL12973012 0.80 IDO1 (0.36) IDO1TDO2RARARARBRARG
SCHEMBL12973017 0.80 RARA (0.46) IDO1TDO2RARARARBRARG
SCHEMBL12973015 0.76 PTGS2 (0.54) IDO1TDO2PTGS2PTGDR2
SCHEMBL12973020 0.76 IDO1 (0.42) IDO1TDO2KDM4EALDH1A1PTGS2
SCHEMBL14705439 0.71 MAP2K4 (0.38) CES1MAP2K4HDAC6HDAC1KDM4E
SCHEMBL19056956 0.71 CES1 (0.65) CES1MAP2K4HDAC6HDAC1MLYCD
SCHEMBL12992938 0.69 IDO1 (0.38) IDO1TDO2ALDH1A1
SCHEMBL13639889 0.68 PTGS2 (0.49) IDO1TDO2PTGS2PTGDR2
SCHEMBL12973037 0.67 HDAC6 (0.63) CES1HDAC6HDAC1MLYCD

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 7 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-8378338-B2 Conjugated compound, nitrogenated condensed-ring compound, nitrogenated condensed-ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378338-B2 Conjugated compound, nitrogenated condensed-ring compound, nitrogenated condensed-ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 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
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 US disclosed
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 US disclosed
EP-2223918-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT Osaka University (JP) 2010-09-01 EP 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-20130041123-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, NITROGEN-CONTAINING FUSED RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT NOM1, NOS1, MNS1 IDO1 1349/4885TDO2 641/4885RARA 4299/4885
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT F12, F9, C9 IDO1 1674/4885TDO2 347/4885RARA 934/4885

“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.