SCHEMBL15430813

SCHEMBL15430813

O=[N+]([O-])c1ccccc1-c1ccc2ncn(-c3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.64
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.48
HTT P42858 3/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
SRC P12931 1/20 0.45
ACVR1 Q04771 1/20 0.43

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
SCHEMBL15430812 0.90 ALDH1A1 (0.64) FGFR1ALDH1A1TDP1HPGD
SCHEMBL23729173 0.79 HTT (0.54) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL19911376 0.79 FGFR1 (1.00) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL16919823 0.78 ALDH1A1 (0.58) FGFR1ALDH1A1HPGD
SCHEMBL23729737 0.78 HTT (0.56) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL15430940 0.78 ALDH1A1 (0.48) FGFR1ALDH1A1TDP1HTTHPGD
SCHEMBL15596380 0.77 ALDH1A1 (0.50) FGFR1ALDH1A1TDP1MAPK1
SCHEMBL15430958 0.77 ALDH1A1 (0.50) ALDH1A1TDP1HTT
SCHEMBL16291053 0.76 HTT (0.62) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL18910380 0.75 FGFR1 (0.50) FGFR1ALDH1A1HTTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 US disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 WO 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-10236451-B2 Compound and organic electroluminescent device comprising the same VDAC1, PIEZO1, SLCO4C1 FGFR1 4472/4885ALDH1A1 566/4885TDP1 3251/4885
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 FGFR1 4007/4885ALDH1A1 472/4885TDP1 3260/4885

“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.