SCHEMBL7045241

SCHEMBL7045241

O=C(NC(C(=O)c1ccncc1)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ GSK3B P49841 5/20 0.54
▸ ROCK1 Q13464 5/20 0.54
▸ CLK4 Q9HAZ1 5/20 0.54
▸ RPS6KA5 O75582 4/20 0.54
▸ AKT1 P31749 4/20 0.54
▸ PRKCD Q05655 4/20 0.54
▸ PRKG2 Q13237 4/20 0.54
▸ PRKG1 Q13976 4/20 0.54
▸ PKN2 Q16513 4/20 0.54
▸ GSK3A P49840 4/20 0.54
▸ ROCK2 O75116 3/20 0.54
▸ MAP4K4 O95819 3/20 0.54
▸ CDK1 P06493 3/20 0.54
▸ RPS6KB1 P23443 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ RPS6KA3 P51812 3/20 0.54

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
SCHEMBL4978454 0.95 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL14595547 0.90 LMNA (0.56) ALDH1A1KMT2AEPHX2LMNACYP3A4
SCHEMBL7047478 0.90 SLC6A9 (0.56) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL4978745 0.87 SLC6A9 (0.56) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL7048161 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL6707539 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL14595548 0.81 NPC1 (0.63) ALDH1A1KMT2AMEN1LMNAKCNK3
SCHEMBL17663830 0.80 S1PR3 (0.73) —
SCHEMBL11626488 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1GSK3BROCK1
SCHEMBL7049903 0.78 EPHX2 (0.46) ALDH1A1KMT2AMEN1GSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides FRANTZ DOUG E (US) 2003-05-01 — — 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-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides AADAC, ACAA2, ACSS2 ALDH1A1 512/4885KMT2A 113/4885MEN1 3433/4885

“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.

Send feedback