SCHEMBL17488114

SCHEMBL17488114

Cn1c(NCc2ccc(Oc3ncc(C(F)(F)F)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MCHR1 Q99705 2/20 0.40
KDR P35968 3/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TEK Q02763 1/20 0.36
MAOB P27338 1/20 0.36
SCN7A Q01118 1/20 0.35
SCN9A Q15858 1/20 0.35
CACNA1B Q00975 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
SCHEMBL17488115 0.90 NPC1 (0.50) NPC1RAB9ATP53MAPTGAA
SCHEMBL18960455 0.90 NPC1 (0.44) NPC1RAB9ATP53MAPTGAA
SCHEMBL18960446 0.89 NPC1 (0.47) NPC1RAB9ATP53MAPTGAA
SCHEMBL18960418 0.89 NPC1 (0.44) NPC1RAB9ATP53MAPTGAA
SCHEMBL17488264 0.88 NPC1 (0.48) NPC1RAB9ATP53MAPTGAA
SCHEMBL17487767 0.87 NPC1 (0.47) NPC1RAB9ATP53MAPTKDR
SCHEMBL18960426 0.87 NPC1 (0.48) NPC1RAB9ATP53MAPTKDR
SCHEMBL17488225 0.86 NPC1 (0.53) NPC1RAB9ATP53MAPTKDR
SCHEMBL17487726 0.85 NPC1 (0.44) NPC1RAB9ATP53MAPTGAA
SCHEMBL18960447 0.85 NPC1 (0.47) NPC1RAB9ATP53MAPTGAA

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 3 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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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 3982/4885TP53 2004/4885

“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.