SCHEMBL17487992

SCHEMBL17487992

Cn1c(NCc2ccc(Oc3ccc4cc(Cl)ccc4n3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 3/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX3 P56373 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL17488246 0.95 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965953 0.90 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL18965766 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488173 0.89 CYP3A4 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965967 0.89 CYP3A4 (0.41) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965860 0.88 CYP3A4 (0.44) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965932 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965774 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965869 0.86 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965867 0.86 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4

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 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.