SCHEMBL17488282

SCHEMBL17488282

Cn1c(NCCOc2ccc(OC(F)(F)F)c(Cl)c2)nc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.41
IDH1 O75874 4/20 0.40
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGK1 P00558 1/20 0.36
SCN9A Q15858 2/20 0.35
BRAF P15056 2/20 0.35
POLB P06746 1/20 0.35
KDR P35968 1/20 0.35
RAD51 Q06609 2/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 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
SCHEMBL18960398 0.93 CYP3A4 (0.41) SMN1; SMN2ALDH1A1CYP3A4IDH1PGK1
SCHEMBL17488280 0.93 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CYP3A4IDH1KDM4E
SCHEMBL17488269 0.87 IDH1 (0.48) SMN1; SMN2ALDH1A1CYP3A4IDH1KDM4E
SCHEMBL17488286 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP3A4KDM4EHSD17B10
SCHEMBL17488265 0.85 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CYP3A4IDH1PPARD
SCHEMBL17488268 0.79 CYP3A4 (0.45) SMN1; SMN2ALDH1A1CYP3A4IDH1BRAF
SCHEMBL17488283 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL17488289 0.69 IDH1 (0.46) IDH1KDM4EBRAFKDRHTT
SCHEMBL18960395 0.66 NTRK1 (0.42) IDH1KDM4EHTTBRD4
SCHEMBL30140163 0.66 CYP3A4 (0.46) ALDH1A1CYP3A4HSD17B10PGK1SCN9A

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 SMN1; SMN2 3381/4885ALDH1A1 582/4885CYP3A4 261/4885

“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.