SCHEMBL18965611

SCHEMBL18965611

Cc1ccc(Oc2ccc(CNc3nc4ccc(NC5COC5)cc4n3C)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17488242 0.87 NPC1 (0.41) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL18965627 0.85 LMNA (0.41) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL18965766 0.85 NPC1 (0.50) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL18965788 0.85 P2RX3 (0.40) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL17488173 0.85 CYP3A4 (0.48) P2RX3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17488209 0.84 NPC1 (0.46) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL17487992 0.84 NPC1 (0.42) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL18965953 0.84 NPC1 (0.38) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL17488246 0.84 NPC1 (0.42) P2RX3NPC1RAB9AALDH1A1TP53
SCHEMBL18965769 0.84 NPC1 (0.41) NPC1RAB9AALDH1A1TP53KDM4E

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 P2RX3 750/4885NPC1 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.