SCHEMBL14875009

SCHEMBL14875009

[O-][N+](=Cc1ccccc1)c1ccc(C2=NCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.49
ALDH1A1 P00352 8/20 0.45
MAPT P10636 8/20 0.45
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
MMP12 P39900 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP9X Q93008 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL14573122 0.94 ALDH1A1 (0.49) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL14874901 0.86 MAPT (0.35) G6PDALDH1A1MAPTALOX15TSHR
SCHEMBL14874900 0.83 RAB9A (0.49) ALDH1A1MAPTALOX15NPC1RAB9A
SCHEMBL14573121 0.77 LSS (0.39) MMP12SMN1; SMN2USP9XKCNH2HRH3
SCHEMBL961792 0.75 KCNN4 (0.44) ALDH1A1MMP12HPGDSMN1; SMN2USP9X
Styrene SCHEMBL27729578 0.75 ALDH1A1 (0.45) ALDH1A1TSHRMMP12HPGDSMN1; SMN2
SCHEMBL84185 0.75 KCNN4 (0.47) ALDH1A1MMP12NPC1RAB9AHPGD
SCHEMBL21351777 0.75 KCNN4 (0.47) ALDH1A1MMP12NPC1RAB9AHPGD
SCHEMBL5611161 0.74 NOTUM (0.44) ALDH1A1MAPTRECQLNPC1RAB9A
SCHEMBL28865459 0.74 KCNH2 (0.42) SMN1; SMN2USP9XKCNH2HRH3LSS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802593-B1 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORP (JP) 2013-04-24 EP claimed
CN-105367509-A Polymer-filler coupling additives BRIDGESTONE CORP 2016-03-02 CN disclosed
CN-101084202-B Polymer-Filler Coupling Additives BRIDGESTONE CO.,LTD. (JP) 2015-11-25 CN disclosed
US-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-10-23 US disclosed
EP-1802593-B1 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORP (JP) 2013-04-24 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 (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-20140316132-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 G6PD 2071/4885ALDH1A1 3435/4885MAPT 4410/4885

“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.