SCHEMBL8520219

SCHEMBL8520219

Nc1cccc(N=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CD44 P16070 1/20 0.42
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 4/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PIK3CA P42336 1/20 0.36
JAK2 O60674 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MELK Q14680 1/20 0.32
STK24 Q9Y6E0 1/20 0.32

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
SCHEMBL13438968 0.87 NPC1 (0.38) L3MBTL1GAANPC1RAB9ACD44
SCHEMBL6227112 0.79 NPC1 (0.62) L3MBTL1GAANPC1RAB9ACD44
SCHEMBL143318 0.79
SCHEMBL6558400 0.78 GAA (0.42) L3MBTL1GAANPC1RAB9ACD44
SCHEMBL24716112 0.76 MMP2 (0.47) L3MBTL1GAANPC1RAB9AALDH1A1
SCHEMBL2214991 0.76 ALDH1A1 (0.59) L3MBTL1GAANPC1RAB9AALDH1A1
SCHEMBL7991021 0.76 G6PD (0.47) L3MBTL1GAANPC1RAB9AALDH1A1
SCHEMBL22060026 0.76 JAK2 (0.47) L3MBTL1GAANPC1RAB9AALDH1A1
SCHEMBL12637724 0.76 PBRM1 (0.38) L3MBTL1GAANPC1RAB9ATDP1
SCHEMBL18788037 0.76 CD44 (0.50) L3MBTL1NPC1RAB9ACD44ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-7956190-B2 Benzimidazole amido derivatives as kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-06-07 US disclosed
US-20100168181-A1 BENZIMIDAZOLE AMIDO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-07-01 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 (4 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-20100168181-A1 BENZIMIDAZOLE AMIDO DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A5, TMBIM6, FANCI L3MBTL1 2748/4885GAA 173/4885NPC1 1462/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 L3MBTL1 3665/4885GAA 530/4885NPC1 141/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A L3MBTL1 952/4885GAA 144/4885NPC1 2579/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 L3MBTL1 1806/4885GAA 2096/4885NPC1 3685/4885

“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.