SCHEMBL17686281

SCHEMBL17686281

O=Cc1ccc(F)cc1.O=Cc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.64
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
NPC1 O15118 1/20 0.50
CHRM5 P08912 1/20 0.50
GRM5 P41594 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PTGS1 P23219 2/20 0.47
NQO2 P16083 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2A6 P11509 1/20 0.46
FBP1 P09467 1/20 0.46

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
SCHEMBL18472616 0.91
SCHEMBL24197 0.91
SCHEMBL1574019 0.91 NFE2L2 (0.65) NFE2L2MAOAMAOBCYP1A2CYP3A4
SCHEMBL29359478 0.91
Hydrochloric Acid SCHEMBL29084496 0.89 NFE2L2 (0.62) NFE2L2MAOAMAOBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29768617 0.89 NFE2L2 (0.62) NFE2L2MAOAMAOBCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL27509053 0.89 NFE2L2 (0.62) NFE2L2MAOAMAOBCYP1A2CYP3A4
Cyclohexane SCHEMBL268585 0.85 NFE2L2 (0.58) NFE2L2MAOAMAOBCYP1A2CYP3A4
Benzaldehyde SCHEMBL28297125 0.82 ALDH1A1 (0.70) NFE2L2MAOAMAOBPKMNPC1
SCHEMBL10306547 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 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-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 NFE2L2 1133/4885MAOA 3645/4885MAOB 3989/4885

“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.