SCHEMBL5836237

SCHEMBL5836237

COCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
YEATS4 O95619 2/20 0.57
KCNH2 Q12809 2/20 0.57
TSHR P16473 1/20 0.52
MLLT3 P42568 1/20 0.52
MLLT1 Q03111 1/20 0.52
YEATS2 Q9ULM3 1/20 0.52
PLD2 O14939 11/20 0.52
PLD1 Q13393 11/20 0.52
HTR3A P46098 2/20 0.52
CACNA1G O43497 1/20 0.52
DRD2 P14416 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL4437610 0.85 YEATS4 (0.51) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL5837066 0.82 ALDH1A1 (0.62) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL14008572 0.79 YEATS4 (0.66) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL5836092 0.79 HPD (0.50) ALDH1A1TSHRDRD2
SCHEMBL18477021 0.79 ALDH1A1 (0.58) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL14433780 0.79 EPHX2 (0.60) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL5836923 0.78 GAA (0.49) ALDH1A1TSHRKDM4EMEN1HTT
SCHEMBL5837297 0.78 MEN1 (0.57) ALDH1A1LMNAHTR3AKDM4EMEN1
SCHEMBL5836240 0.78 ALDH1A1 (0.58) ALDH1A1USP2LMNAYEATS4KCNH2
SCHEMBL6054640 0.77 POLB (0.63) ALDH1A1KDM4EMEN1HTTKMT2A

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 ALDH1A1 1806/4885USP2 3205/4885LMNA 4261/4885

“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.