SCHEMBL18960433

SCHEMBL18960433

Cn1c(NCc2ccc(COc3ccc(Cl)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 3/20 0.44
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
PPARG P37231 1/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.36
MCHR1 Q99705 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL17488172 0.89 CYP3A4 (0.54) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960434 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960437 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960421 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960425 0.83 CYP3A4 (0.50) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960417 0.83 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960407 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18965949 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960426 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL18960445 0.80 KDM4E (0.45) 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.