SCHEMBL12636735

SCHEMBL12636735

Cc1ccc(-c2nc3cccc(C)c3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.54
PARP1 P09874 3/20 0.54
TNKS2 Q9H2K2 3/20 0.54
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPBWR1 P48145 2/20 0.43
GAA P10253 4/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
MAPT P10636 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 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
SCHEMBL6368201 0.88 NPC1 (0.55) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL13405984 0.87 GAA (0.59) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL14091252 0.87 NPC1 (0.53) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL6325048 0.87 ALDH1A1 (0.57) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL13405985 0.87 MGAM (0.59) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL5201211 0.85 GAA (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1HTT
SCHEMBL7945644 0.82 KDM4E (0.59) TNKSPARP1RAB9ASMN1; SMN2NPC1
SCHEMBL14115834 0.82 TNKS (0.58) TNKSPARP1TNKS2GAAMGAM
SCHEMBL5201587 0.81 NPC1 (0.47) TNKSPARP1TNKS2RAB9ASMN1; SMN2
SCHEMBL6330688 0.81 MMP2 (0.62) TNKSPARP1TNKS2RAB9ASMN1; SMN2

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-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 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 (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-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI TNKS 170/4885PARP1 138/4885TNKS2 239/4885

“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.