SCHEMBL17488337

SCHEMBL17488337

CCn1c(NCc2ccc(Oc3ncc(C(F)(F)F)cn3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPC5 Q9UL62 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.34
IDH1 O75874 1/20 0.34
SCD O00767 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 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
SCHEMBL17488131 0.92 MCHR1 (0.41) TP53LMNAALDH1A1GAAMAPT
SCHEMBL18965791 0.91 SCN9A (0.45) TP53LMNASCN9A
SCHEMBL17488231 0.90 SCN9A (0.34) TP53LMNASMN1; SMN2GAAMAPT
SCHEMBL17488230 0.83 NPC1 (0.42) TP53LMNATHRBSMN1; SMN2ALDH1A1
SCHEMBL18965887 0.83 NPC1 (0.39) TP53LMNASMN1; SMN2ALDH1A1TRPC5
SCHEMBL18965840 0.83 NPC1 (0.41) TP53LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL17488253 0.82 SCN9A (0.46) MCHR1SCN9A
SCHEMBL17488307 0.82 CYP3A4 (0.41) TP53LMNA
SCHEMBL18965925 0.81 NPC1 (0.41) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL17487720 0.81 NPC1 (0.41) TP53LMNASMN1; SMN2ALDH1A1MAPT

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 2 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
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 TP53 2004/4885LMNA 1905/4885THRB 2050/4885

“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.