SCHEMBL17488127

SCHEMBL17488127

Cn1c(NCc2cc(Cl)c(Oc3ncc(Cl)cn3)cc2Cl)nc2ccc(NC3COC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GAA P10253 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGES O14684 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17487989 0.89 RAB9A (0.38) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18965925 0.84 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18965857 0.84 TP53 (0.37) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL17487724 0.83 CYP3A4 (0.35) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL17488226 0.83 NPC1 (0.32) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488250 0.83 NPC1 (0.36) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488310 0.83 CDK2 (0.39) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL18964927 0.82 EGFR (0.33) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18960460 0.82 TP53 (0.41) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL18965852 0.81 CYP3A4 (0.41) TP53NPC1RAB9APKMSMN1; SMN2

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 2004/4885NPC1 2764/4885RAB9A 3982/4885

“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.