SCHEMBL17488239

SCHEMBL17488239

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
P2RX3 P56373 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAP4K4 O95819 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18960447 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL17488234 0.87 NPC1 (0.48) NPC1RAB9AP2RX3SMN1; SMN2LMNA
SCHEMBL18960442 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNACYP3A4
SCHEMBL18960432 0.86 NPC1 (0.46) NPC1RAB9AP2RX3SMN1; SMN2LMNA
SCHEMBL17488172 0.86 CYP3A4 (0.54) NPC1RAB9AP2RX3SMN1; SMN2PPARG
SCHEMBL18960425 0.84 CYP3A4 (0.50) NPC1RAB9AP2RX3SMN1; SMN2LMNA
SCHEMBL17488117 0.83 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAPPARG
SCHEMBL18960418 0.83 NPC1 (0.44) NPC1RAB9ALMNACYP3A4GAA
SCHEMBL18960448 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNACYP3A4
SCHEMBL17488241 0.82 P2RX3 (0.44) OPRM1NPC1RAB9AP2RX3SMN1; 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 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 OPRM1 1185/4885NPC1 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.