SCHEMBL17488227

SCHEMBL17488227

Cn1c(NCc2ccc(Oc3ccccn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 1/20 0.44
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.41
KDR P35968 1/20 0.41
ACACB O00763 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL17488225 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL18960448 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488234 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2APPARG
SCHEMBL18960442 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488172 0.84 CYP3A4 (0.54) NPC1RAB9ASMN1; SMN2KMT2APPARG
SCHEMBL18960432 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2APPARG
SCHEMBL17487991 0.84 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2APPARG
SCHEMBL17487719 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17487757 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488115 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ATP53

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 NPC1 2764/4885RAB9A 3982/4885SMN1; SMN2 3381/4885

“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.