SCHEMBL17487526

SCHEMBL17487526

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(Nc3n[nH]cc3C(N)=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ZAP70 P43403 1/20 0.36
KARS1 Q15046 1/20 0.36
RET P07949 1/20 0.36
JAK3 P52333 1/20 0.36
SYK P43405 1/20 0.35
CYP3A4 P08684 1/20 0.35
BRAF P15056 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
SCHEMBL17488027 0.88 MCHR1 (0.41) P2RX3RET
SCHEMBL18965810 0.84 NPC1 (0.43) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17487725 0.82 NPC1 (0.40) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488025 0.82 NPC1 (0.40) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488154 0.82 NPC1 (0.40) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965778 0.81 NPC1 (0.39) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17487439 0.81 NPC1 (0.43) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488021 0.81 NPC1 (0.43) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965885 0.81 NPC1 (0.42) P2RX3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965986 0.80 NPC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4

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 750/4885NPC1 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.