SCHEMBL2315534

SCHEMBL2315534

O=[N+]([O-])c1cc(F)c(Cl)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
PTGES O14684 2/20 0.48
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SLC6A4 P31645 1/20 0.42
VCAM1 P19320 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
EIF4E P06730 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL17915595 0.86 ALDH1A1 (0.58) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL28827487 0.81 ALDH1A1 (0.51) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL15461976 0.80 ALDH1A1 (0.69) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL22007056 0.79 ALDH1A1 (0.67) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL11874814 0.78 ALDH1A1 (0.53) ALDH1A1TDP1MAPTCRHBPCRHR2
SCHEMBL10452392 0.78 ALDH1A1 (0.49) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL32662713 0.77 ALDH1A1 (0.51) ALDH1A1TDP1PTGESMAPTCRHBP
SCHEMBL17406603 0.76 L3MBTL1 (0.57) ALDH1A1TDP1MAPTMAPK1
SCHEMBL3543539 0.75 TSHR (0.50) ALDH1A1TDP1MAPTHPGDSLC6A4
SCHEMBL30110338 0.75 TSHR (0.50) ALDH1A1TDP1MAPTHPGDSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
CN-102177137-A 1-phenylpyrrole compounds EXELIXIS INC 2011-09-07 CN disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 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 (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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALDH1A1 1348/4885TDP1 4248/4885PTGES 426/4885

“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.