SCHEMBL18960461

SCHEMBL18960461

Cn1c(NCc2ccc(-n3ccc4cc(Cl)cnc43)cc2)nc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 1/20 0.46
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34
KDR P35968 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MCHR1 Q99705 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 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
SCHEMBL17488155 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL18965813 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL18960463 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL17488146 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL18960426 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL18960440 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL18960433 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL17488020 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL17488172 0.76 CYP3A4 (0.54) NPC1RAB9ASMN1; SMN2KMT2AHTR3A
SCHEMBL18960441 0.76 PPARG (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPK1

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.