SCHEMBL17488241

SCHEMBL17488241

Cn1c(NCc2ccc(Oc3ccc(C#N)cn3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.44
OPRM1 P35372 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 3/20 0.37
CACNA1H O95180 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL18965930 0.90 NPC1 (0.41) P2RX3NPC1RAB9ACACNA1BCACNA1H
SCHEMBL18965627 0.89 LMNA (0.41) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL17488242 0.89 NPC1 (0.41) P2RX3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL18965788 0.88 P2RX3 (0.40) P2RX3NPC1RAB9ALMNAALDH1A1
SCHEMBL17488173 0.88 CYP3A4 (0.48) P2RX3NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL18965860 0.86 CYP3A4 (0.44) P2RX3NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL17488116 0.86 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL17488253 0.86 SCN9A (0.46)
SCHEMBL18965769 0.85 NPC1 (0.41) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL18965767 0.85 NPC1 (0.40) P2RX3NPC1RAB9ALMNASMN1; 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 P2RX3 750/4885OPRM1 1185/4885NPC1 2764/4885

“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.