SCHEMBL17488202

SCHEMBL17488202

CC(C)(C)Nc1ccc2nc(N)n(CCOc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCL8 P10145 1/20 0.46
NTRK1 P04629 4/20 0.41
IDH1 O75874 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCHR1 Q99705 3/20 0.38
MCHR2 Q969V1 1/20 0.38
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.36
DHFR P00374 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
SCHEMBL17488070 0.84 NOD1 (0.52) NOD1KMT2ACXCL8NTRK1TLR8
SCHEMBL17488071 0.82 CXCL8 (0.42) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488288 0.82 NTRK1 (0.41) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488080 0.78 IDH1 (0.40) NTRK1IDH1MAPTLMNAMCHR1
SCHEMBL17488075 0.77 KMT2A (0.52) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488289 0.76 IDH1 (0.46) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488072 0.75 CXCL8 (0.43) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488178 0.73 NTRK1 (0.42) NOD1KMT2ACXCL8NTRK1IDH1
SCHEMBL17488185 0.73 IDH1 (0.41) NTRK1IDH1MCHR1MCHR2
SCHEMBL17488184 0.72 IDH1 (0.42) IDH1MCHR1MCHR2

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 NOD1 2374/4885KMT2A 4213/4885CXCL8 834/4885

“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.