SCHEMBL17488322

SCHEMBL17488322

CCn1c(NCc2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)nc2ccc(Nc3cc(C(F)(F)F)n(C)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.35
KDR P35968 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 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
SCHEMBL17488045 0.92 LMNA (0.38) P2RX3LMNATP53SMN1; SMN2NPC1
SCHEMBL18965985 0.89 CYP3A4 (0.40) P2RX3LMNATP53
SCHEMBL17488319 0.86 TP53 (0.39) P2RX3LMNATP53SMN1; SMN2NPC1
SCHEMBL18965884 0.86 LMNA (0.39) P2RX3LMNATP53SMN1; SMN2NPC1
SCHEMBL17488247 0.85 LMNA (0.38) P2RX3LMNATP53SMN1; SMN2NPC1
SCHEMBL17488047 0.84 P2RX3 (0.40) P2RX3LMNATP53SMN1; SMN2NPC1
SCHEMBL18965822 0.82 CYP3A4 (0.45) P2RX3SMN1; SMN2NPC1RAB9AKDR
SCHEMBL17488321 0.81 MCHR1 (0.38) P2RX3KDR
SCHEMBL17488044 0.81 P2RX3 (0.41) P2RX3LMNATP53SMN1; SMN2THRB
SCHEMBL17488323 0.79 MCHR1 (0.40) TP53NPC1RAB9AKDRGAA

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
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 P2RX3 750/4885LMNA 1905/4885TP53 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.