SCHEMBL18960464

SCHEMBL18960464

CN(C)C(=O)c1cnc(Oc2ccc(CNc3nc4ccc(N)cc4n3C)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CNR2 P34972 1/20 0.40
KDR P35968 1/20 0.38
FYN P06241 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
USP2 O75604 2/20 0.35
CYP2D6 P10635 2/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 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
SCHEMBL17488157 0.89 NPC1 (0.43) NPC1RAB9ACNR2KDRSMN1; SMN2
SCHEMBL17488115 0.88 NPC1 (0.50) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL17488264 0.86 NPC1 (0.48) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL18960426 0.85 NPC1 (0.48) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL17487767 0.85 NPC1 (0.47) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL18960446 0.85 NPC1 (0.47) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL17488225 0.83 NPC1 (0.53) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL17488114 0.82 NPC1 (0.45) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL18960447 0.82 NPC1 (0.47) NPC1RAB9AKDRSMN1; SMN2KMT2A
SCHEMBL18960455 0.81 NPC1 (0.44) NPC1RAB9AKDRSMN1; SMN2KMT2A

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 3982/4885CNR2 93/4885

“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.