SCHEMBL7088441

SCHEMBL7088441

CCCCCc1conc1[C]=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
TYR P14679 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARA Q07869 3/20 0.31
HCAR2 Q8TDS4 1/20 0.31
BID P55957 3/20 0.30
MCL1 Q07820 3/20 0.30
BCL2L1 Q07817 2/20 0.30

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
SCHEMBL6917750 0.81 LIPG (0.34) LIPGTYRMEN1TP53CYP3A4
SCHEMBL7091928 0.81
SCHEMBL958408 0.74 PPARA (0.36) LIPGTYRMEN1TP53CYP3A4
SCHEMBL18431632 0.68 THRB (0.38) LIPGTYRMEN1TP53CYP3A4
SCHEMBL6507690 0.68 TDP1 (0.41) NR1H2NR1H3LIPGALOX5TDP1
SCHEMBL1758937 0.67 TLR8 (0.41) TYRTP53TLR8CTRC
SCHEMBL2089849 0.67 CYP19A1 (0.34) LIPGTYRMEN1TP53CYP3A4
SCHEMBL2091805 0.67 LIPG (0.33) LIPGTYRMEN1TP53CYP3A4
SCHEMBL1221328 0.67 PPARA (0.33) MEN1KMT2ATDP1KCNH2PPARA
SCHEMBL2094137 0.64 KCNH2 (0.36) MEN1TP53CYP3A4KMT2ATDP1

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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 NR1H2 2716/4885NR1H3 2398/4885LIPG 3721/4885

“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.