SCHEMBL18960426

SCHEMBL18960426

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 2/20 0.41
KDR P35968 1/20 0.41
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 3/20 0.37
DGAT2 Q96PD7 1/20 0.37
ALOX15 P16050 1/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 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
SCHEMBL17488115 0.93 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL17488133 0.91 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488264 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL18960446 0.90 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17487767 0.90 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL18965886 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17487429 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488225 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL18960407 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488172 0.88 CYP3A4 (0.54) 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
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

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.