SCHEMBL4367106

SCHEMBL4367106

CC(C)(C)OC(=O)N1CCCC1COc1cc([N+](=O)[O-])ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
FEN1 P39748 1/20 0.44
WNT3 P56703 2/20 0.43
SFRP1 Q8N474 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
F2RL3 Q96RI0 4/20 0.39
ENPP2 Q13822 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
SCHEMBL4367102 1.00 ALOX5AP (0.44) ALOX5APFEN1WNT3SFRP1CHRNB4
SCHEMBL4977559 0.93 ALOX5AP (0.43) ALOX5APFEN1WNT3SFRP1CHRNB4
SCHEMBL4374846 0.93 ALOX5AP (0.43) ALOX5APFEN1WNT3SFRP1CHRNB4
SCHEMBL4370059 0.93 ALOX5AP (0.43) ALOX5APFEN1WNT3SFRP1CHRNB4
SCHEMBL13419614 0.88 ALOX5AP (0.47) ALOX5APFEN1CHRNB4CHRNA3ALDH1A1
SCHEMBL4371494 0.88 ALOX5AP (0.45) ALOX5APFEN1CHRNB4CHRNA3ALDH1A1
SCHEMBL4371497 0.88 ALOX5AP (0.45) ALOX5APFEN1CHRNB4CHRNA3ALDH1A1
SCHEMBL4367186 0.85 ALOX5AP (0.48) ALOX5APFEN1WNT3SFRP1UTS2R
SCHEMBL4372549 0.85 ALOX5AP (0.48) ALOX5APFEN1WNT3SFRP1UTS2R
SCHEMBL6191591 0.83 CHRNB4 (0.48) ALOX5APFEN1CHRNB4CHRNA3ALDH1A1

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALOX5AP 555/4885FEN1 1212/4885WNT3 1541/4885

“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.