SCHEMBL17488265

SCHEMBL17488265

Cn1c(NCCOc2ccc(OC(F)(F)F)cc2Cl)nc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
PPARA Q07869 5/20 0.40
PPARD Q03181 3/20 0.40
IDH1 O75874 4/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
PPARG P37231 2/20 0.35
ACACB O00763 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MCHR1 Q99705 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
SCHEMBL17488280 0.93 CYP3A4 (0.42) CYP3A4PPARAPPARDIDH1EGFR
SCHEMBL18960398 0.93 CYP3A4 (0.41) CYP3A4PPARAPPARDIDH1PPARG
SCHEMBL17488268 0.87 CYP3A4 (0.45) CYP3A4IDH1PPARGACACBALDH1A1
SCHEMBL17488282 0.85 SMN1; SMN2 (0.41) CYP3A4PPARAPPARDIDH1BRD4
SCHEMBL17488283 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL17488269 0.79 IDH1 (0.48) CYP3A4IDH1BRD4ALDH1A1SMN1; SMN2
SCHEMBL18960428 0.74 NPC1 (0.47) CYP3A4IDH1PPARGBRD4ALDH1A1
SCHEMBL17488286 0.74 ALDH1A1 (0.47) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL17488117 0.73 RAB9A (0.44) CYP3A4IDH1PPARGBRD4ALDH1A1
SCHEMBL22809541 0.72 PPARA (0.50) CYP3A4PPARAPPARDPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 CYP3A4 261/4885PPARA 890/4885PPARD 1398/4885

“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.