SCHEMBL5582839

SCHEMBL5582839

COc1ccc(C(N)=O)cc1.c1ccc2c(c1)N2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.72
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
PARP1 P09874 2/20 0.72
PARP4 Q9UKK3 2/20 0.72
PARP2 Q9UGN5 1/20 0.72
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
MAP4K4 O95819 1/20 0.53
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49

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
SCHEMBL27457201 0.87 PARP10 (0.68) PARP10CA1CA2PARP1PARP4
SCHEMBL201761 0.85 PARP10 (1.00) PARP10CA1CA2PARP1PARP4
P-Anisic Acid SCHEMBL5584037 0.84 CA1 (0.71) CA1CA2CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL408766 0.83 PARP10 (0.95) PARP10CA1CA2PARP1PARP4
Hydrochloric Acid SCHEMBL4376056 0.83 PARP10 (0.95) PARP10CA1CA2PARP1PARP4
Terephthalamide SCHEMBL2512049 0.83 PARP1 (0.58) PARP10CA1CA2PARP1PARP4
Methyl 4-Methoxybenzoate SCHEMBL5582912 0.83 CA1 (0.72) CA1CA2CES2CES1KMT2A
SCHEMBL5582971 0.80 PLK1 (0.74) CA1CA2CES2CES1ALDH1A1
Acetic Acid SCHEMBL28396208 0.80 PARP10 (0.88) PARP10CA1CA2PARP1PARP4
SCHEMBL7442028 0.80 PARP10 (0.88) PARP10CA1CA2PARP1PARP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 US disclosed
CN-1856310-A Quinazoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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-20070054894-A1 Quinazoline potassium channel inhibitors KCNJ2, KCNH2, KCNH3 PARP10 1272/4885CA1 3497/4885CA2 619/4885

“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.