SCHEMBL17488231

SCHEMBL17488231

CCn1c(NCc2ccc(Oc3ncc(C(F)(F)F)cn3)cc2F)nc2ccc(NC3COC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.34
GPR6 P46095 4/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 1/20 0.32
SCN7A Q01118 2/20 0.32
SCD O00767 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
MCHR1 Q99705 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17488337 0.90 TP53 (0.40) SCN9ATP53LMNAIDH1SCD
SCHEMBL17488233 0.83 SCN9A (0.46) SCN9ASCN7AKCNH2SCN5A
SCHEMBL18965857 0.82 TP53 (0.37) GPR6TP53GAAKCNH2SMN1; SMN2
SCHEMBL17488131 0.82 MCHR1 (0.41) SCN9ATP53LMNAIDH1MCHR1
SCHEMBL18965791 0.81 SCN9A (0.45) SCN9ATP53LMNASCN7AKCNH2
SCHEMBL18965823 0.81 NTRK1 (0.46) KDR
SCHEMBL17488052 0.81 BRAF (0.33) TP53LMNASCDMCHR1GAA
SCHEMBL17488245 0.79 MCHR1 (0.40) SCN9AIDH1SCN7AMCHR1KDR
SCHEMBL17488299 0.75 CYP3A4 (0.40) SCN9AGPR6TP53GAASMN1; SMN2
SCHEMBL17488255 0.75 MCHR1 (0.42) SCN9AIDH1SCN7AMCHR1KDR

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 SCN9A 2973/4885GPR6 309/4885TP53 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.