SCHEMBL18965778

SCHEMBL18965778

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(NC3CN(C(N)=O)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX3 P56373 8/20 0.37
EGFR P00533 3/20 0.36
BTK Q06187 3/20 0.36
CYP3A4 P08684 2/20 0.36
MCHR1 Q99705 2/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35
KDR P35968 1/20 0.34

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
SCHEMBL17487411 0.92 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL18965849 0.92 CYP3A4 (0.46) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL18965800 0.88 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18965925 0.86 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL18965846 0.86 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18965810 0.86 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL17487725 0.85 NPC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL18965855 0.85 NPC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17487439 0.82 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL17487526 0.81 P2RX3 (0.38) NPC1RAB9AKMT2ASMN1; SMN2P2RX3

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 3982/4885KMT2A 4213/4885

“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.