SCHEMBL17487771

SCHEMBL17487771

OCCNc1nc2ccc(NC3COC3)cc2n1Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.42
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.39
MCHR1 Q99705 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL17487435 0.91 P2RX3 (0.43) P2RX3
SCHEMBL17488109 0.89 P2RX3 (0.38) P2RX3LTA4HMCHR1
SCHEMBL17488009 0.89 P2RX3 (0.40) P2RX3LTA4HMCHR1
SCHEMBL17488298 0.83 SOS1 (0.46) P2RX3HTTLTA4HKCNH2NOD1
SCHEMBL18965766 0.82 NPC1 (0.50) P2RX3LMNAHTTSMN1; SMN2LTA4H
SCHEMBL17487355 0.80 SMN1; SMN2 (0.44) P2RX3LMNAHTTSMN1; SMN2USP2
SCHEMBL17488005 0.80 CYP3A4 (0.41) P2RX3
SCHEMBL17488307 0.76 CYP3A4 (0.41) P2RX3LMNA
SCHEMBL17488296 0.75 P2RX3 (0.41) P2RX3NOD1
SCHEMBL18965932 0.75 NPC1 (0.44) LMNAHTTSMN1; SMN2NPSR1DRD2

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 1905/4885HTT 2423/4885

“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.