SCHEMBL5836092

SCHEMBL5836092

COCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
PIK3CA P42336 9/20 0.45
PRKDC P78527 8/20 0.45
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MTOR P42345 5/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
HPGD P15428 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
SCHEMBL5836181 0.81 HPD (0.53) HPDSMN1; SMN2PIK3CAPRKDCHSD11B1
SCHEMBL5836237 0.79 ALDH1A1 (0.64) ALDH1A1TSHRDRD2
SCHEMBL14008573 0.78 HPD (0.46) HPDSMN1; SMN2PIK3CAPRKDCHSD11B1
SCHEMBL5836096 0.77 HPD (0.52) HPDSMN1; SMN2PIK3CAPRKDCHSD11B1
SCHEMBL6208794 0.77 HPD (0.56) HPDSMN1; SMN2PIK3CAPRKDCHSD11B1
SCHEMBL6054648 0.77 HPD (0.46) HPDSMN1; SMN2PIK3CAALDH1A1TSHR
SCHEMBL3605904 0.74 HTR1A (0.46) SMN1; SMN2ALDH1A1HPGD
SCHEMBL4446744 0.74 DRD2 (0.43) HPDSMN1; SMN2PIK3CAHSD11B1DRD2
Trifluoroacetic Acid SCHEMBL4446739 0.72 HPD (0.41) HPDPIK3CAHSD11B1DRD2SLC6A4
SCHEMBL5838065 0.72 HPD (0.41) HPDPIK3CAPRKDCHSD11B1MTOR

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 4598/4885SMN1; SMN2 1612/4885PIK3CA 1672/4885

“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.