SCHEMBL3415740

SCHEMBL3415740

Cc1cc(Sc2ccc(OC#N)c(C)c2)ccc1OC#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.40
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
MCL1 Q07820 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11033634 0.78 ALDH1A1 (0.38) ARALDH1A1MAPTHPGDKMT2A
SCHEMBL29489134 0.78 GAA (0.44) ARALDH1A1MAPTHPGDKMT2A
SCHEMBL8985167 0.78 GAA (0.44) ARALDH1A1MAPTHPGDKMT2A
SCHEMBL3417950 0.77 MAOA (0.35) ARMAOAMAOBMCL1
SCHEMBL3417550 0.77 AR (0.36) ARMAOAMAOBMAPTHPGD
SCHEMBL11338994 0.76 AR (0.34) ARMAPT
SCHEMBL14176700 0.75 AR (0.44) ARALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9419423 0.74 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL3419472 0.74 AR (0.41) ARMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL9348336 0.74 TSHR (0.45) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2

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
EP-2597114-B1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI LTD (JP) 2017-03-15 EP disclosed
US-9090796-B2 Organic-inorganic composite materials containing triazine rings and electrical devices using the same HITACHI, LTD. (JP) 2015-07-28 US disclosed
EP-2597114-A1 Organic-inorganic composite materials containing triazine rings and electrical devices using the same Hitachi Ltd. (JP) 2013-05-29 EP disclosed
US-20130131248-A1 ORGANIC-INORGANIC COMPOSITE MATERIALS CONTAINING TRIAZINE RINGS AND ELECTRICAL DEVICES USING THE SAME HITACHI, LTD. (JP) 2013-05-23 US disclosed
US-7767739-B2 Cyanato group-containing cyclic phosphazene compound and method for producing the same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
US-6225492-B1 CONTACTING CYANATE CRUDE PRODUCT SOLUTION COMPRISING CYANATE, UNSUBSTITUTED PHENOL AND NON-ALCOHOLIC SOLVENT WITH POOR SOLVENT CONTAINING ALCOHOL AND WATER TO CRYSTALLIZE OR PRECIPITATE SAID CYANATE SUMITOMO CHEMICAL CO., LTD. (JP) 2001-05-01 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-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same CENPE, CPNE4, MCM3 AR 3451/4885MAOA 4588/4885MAOB 4573/4885

“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.