SCHEMBL18965822

SCHEMBL18965822

Cn1nc(Nc2ccc3nc(NCc4ccc(Oc5ccc(Cl)cn5)cc4)n(C)c3c2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
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 14/20 0.38
PPARG P37231 1/20 0.38
KDR P35968 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL18965985 0.93 CYP3A4 (0.40) CYP3A4P2RX3
SCHEMBL17488024 0.91 NPC1 (0.39) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965782 0.86 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488323 0.85 MCHR1 (0.40) NPC1RAB9AKDRMCHR1
SCHEMBL17488045 0.84 LMNA (0.38) NPC1RAB9ASMN1; SMN2P2RX3KDR
SCHEMBL18965884 0.84 LMNA (0.39) NPC1RAB9AKMT2ASMN1; SMN2P2RX3
SCHEMBL18965974 0.84 CYP3A4 (0.51) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965817 0.83 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488023 0.83 CYP3A4 (0.47) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488322 0.82 P2RX3 (0.39) NPC1RAB9ASMN1; SMN2P2RX3KDR

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 CYP3A4 261/4885NPC1 2764/4885RAB9A 3982/4885

“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.