SCHEMBL5836717

SCHEMBL5836717

Cc1cccc(/C(=N\O)C(=O)c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.48
PIK3CA P42336 11/20 0.45
PRKDC P78527 10/20 0.45
MTOR P42345 5/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5836721 1.00 HPD (0.48) HPDPIK3CAPRKDCMTORMAPT
SCHEMBL5836712 0.78 HPD (0.50) HPDPIK3CAPRKDCMTORMAPT
SCHEMBL6208794 0.73 HPD (0.56) HPDPIK3CAPRKDCMTORHSD11B1
SCHEMBL5838094 0.72 PRKDC (0.41) HPDPIK3CAPRKDCMTORMAPT
SCHEMBL5838037 0.71 HPD (0.48) HPDPIK3CAPRKDCMTORMAPT
SCHEMBL5836181 0.70 HPD (0.53) HPDPIK3CAPRKDCMTORHSD11B1
SCHEMBL2511811 0.70 CES2 (0.52) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL2511812 0.70 CES2 (0.52) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5836096 0.69 HPD (0.52) HPDPIK3CAPRKDCMTORHSD11B1
SCHEMBL2510908 0.68 SMN1; SMN2 (0.53) MAPTPOLBALDH1A1MEN1KMT2A

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-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 HPD 4598/4885PIK3CA 1672/4885PRKDC 1727/4885

“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.