SCHEMBL18965867

SCHEMBL18965867

Cn1c(NCc2ccc(Oc3ccc4cccc(Cl)c4n3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.35
TP53 P04637 5/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
P2RX3 P56373 3/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17488119 0.89 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL18965869 0.89 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17488246 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17487992 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL18965766 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17487988 0.84 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17488173 0.84 CYP3A4 (0.48) NPC1RAB9ASMN1; SMN2KMT2AP2RX3
SCHEMBL18965953 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL18965815 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17488309 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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 1 patent. 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

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.