SCHEMBL15545346

SCHEMBL15545346

S=C=Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
PPARG P37231 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 8/20 0.43
HPGD P15428 4/20 0.42
GRM4 Q14833 1/20 0.41
ACP1 P24666 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN13 Q12923 1/20 0.41
SSU72 Q9NP77 1/20 0.41
TP53 P04637 2/20 0.41
XBP1 P17861 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL11419022 0.86 PPARG (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4600261 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14836928 0.85 EGFR (0.48) EGFRERBB2MRGPRX4MIF
SCHEMBL16478062 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11178267 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL15902917 0.78 MIF (0.44) SMN1; SMN2MRGPRX4MIFMAPT
SCHEMBL17658995 0.77 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1022419 0.77 CYP1A2 (0.56) RAB9ASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL15902884 0.75 MRGPRX4 (0.46) RAB9ASMN1; SMN2L3MBTL1MRGPRX4MEN1
SCHEMBL5727839 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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 (2 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NPC1 91/4885RAB9A 950/4885SMN1; SMN2 2853/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NPC1 91/4885RAB9A 950/4885SMN1; SMN2 2853/4885

“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.