SCHEMBL17487724

SCHEMBL17487724

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cn2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
PDE2A O00408 1/20 0.35
MCHR1 Q99705 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
P2RX3 P56373 6/20 0.31
ALOX5AP P20292 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL18965928 0.92 CYP3A4 (0.38) CYP3A4PDE2AMCHR1NPC1RAB9A
SCHEMBL18965850 0.90 CYP3A4 (0.41) CYP3A4PDE2AMCHR1NPC1RAB9A
SCHEMBL18965925 0.90 NPC1 (0.41) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488226 0.87 NPC1 (0.32) PDE2ANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965857 0.86 TP53 (0.37) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL18964927 0.86 EGFR (0.33) MCHR1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488250 0.83 NPC1 (0.36) PDE2ANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18963657 0.83 MCHR1 (0.43) CYP3A4PDE2AMCHR1NPC1RAB9A
SCHEMBL17487989 0.83 RAB9A (0.38) CYP3A4PDE2ANPC1RAB9AKMT2A
SCHEMBL17488127 0.83 TP53 (0.36) PDE2ANPC1RAB9AKMT2ASMN1; 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 CYP3A4 261/4885PDE2A 1552/4885MCHR1 2605/4885

“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.