SCHEMBL17208121

SCHEMBL17208121

O=C(Nc1ccc(O)cc1)c1scc2c1CCCC2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.78
▸ MAPT P10636 9/20 0.78
▸ NPC1 O15118 8/20 0.78
▸ RAB9A P51151 8/20 0.78
▸ LMNA P02545 3/20 0.78
▸ NFKB1 P19838 3/20 0.78
▸ NFKB2 Q00653 3/20 0.78
▸ RELA Q04206 3/20 0.78
▸ KDM4E B2RXH2 2/20 0.78
▸ TP53 P04637 5/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ DEGS1 O15121 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL17208122 0.87 SMN1; SMN2 (0.76) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL15778999 0.87 SMN1; SMN2 (0.75) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL15786670 0.76 RAB9A (0.67) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL3979426 0.71 HPGD (0.62) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL20892324 0.69 HPGD (0.55) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL20787902 0.69 NPC1 (0.57) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL23334741 0.68 TP53 (0.57) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL13545859 0.66 KMT2A (0.57) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL23335496 0.66 TP53 (0.51) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL22336162 0.63 HPGD (0.51) SMN1; SMN2MAPTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-03-28 — — US disclosed
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2015-10-29 — — US disclosed
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2015-10-29 — — US 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-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 SMN1; SMN2 4643/4885MAPT 4291/4885NPC1 539/4885
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 SMN1; SMN2 4573/4885MAPT 4315/4885NPC1 535/4885

“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.

Send feedback