SCHEMBL7049903

SCHEMBL7049903

O=CNC(C(=O)c1ccncc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ PLOD2 O00469 1/20 0.45
▸ PLOD3 O60568 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PLOD1 Q02809 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ ROCK2 O75116 2/20 0.40

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
SCHEMBL6707539 0.78 ALDH1A1 (0.48) EPHX2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL7045241 0.78 ALDH1A1 (0.55) EPHX2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL2478440 0.76 CYP2D6 (0.52) CYP1A2CYP2D6KMT2AMAPK1LMNA
SCHEMBL2777368 0.76 CYP2D6 (0.52) CYP1A2CYP2D6KMT2AMAPK1LMNA
SCHEMBL14871996 0.76 CYP2D6 (0.52) CYP1A2CYP2D6KMT2AMAPK1LMNA
SCHEMBL4978454 0.73 ALDH1A1 (0.54) EPHX2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL15359365 0.73 OPRK1 (0.47) ALDH1A1CYP2D6HPGDKMT2AMEN1
SCHEMBL12174989 0.73 OPRK1 (0.47) ALDH1A1CYP2D6HPGDKMT2AMEN1
SCHEMBL8645113 0.73 OPRK1 (0.44) CYP3A4CYP1A2CYP2C9CYP2D6KMT2A
SCHEMBL10402081 0.73 OPRK1 (0.44) CYP2D6KMT2AMEN1MAPK1LMNA

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 EPHX2 1779/4885ALDH1A1 512/4885CYP3A4 1159/4885

“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.

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