SCHEMBL5036280

SCHEMBL5036280

COc1ccc2nc(Cl)n(Cc3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.59
BRD4 O60885 1/20 0.57
TP53 P04637 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ACSS2 Q9NR19 1/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
DCTPP1 Q9H773 2/20 0.50
CNR2 P34972 1/20 0.50
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL6475362 0.84 ALDH1A1 (0.74) HTTALDH1A1POLBBRD4TP53
SCHEMBL4089473 0.84 MAPT (0.63) HTTALDH1A1POLBTP53MAPT
SCHEMBL22465389 0.83 MAPT (0.49) HTTALDH1A1BRD4MAPTSMN1; SMN2
SCHEMBL1304130 0.83 SMN1; SMN2 (0.71) HTTALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL5033448 0.78 LMNA (0.48) HTTALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL4696635 0.78 BRD4 (0.53) HTTALDH1A1POLBBRD4TP53
SCHEMBL18890513 0.78 BRD4 (0.58) HTTALDH1A1POLBBRD4TP53
SCHEMBL8021688 0.78 BRD4 (0.63) HTTALDH1A1POLBBRD4TP53
SCHEMBL14498814 0.77 HTR3A (0.76)
SCHEMBL1169953 0.77 LMNA (0.70) HTTALDH1A1TP53MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 HTT 3784/4885ALDH1A1 1134/4885POLB 3183/4885

“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.