SCHEMBL3236740

SCHEMBL3236740

O=C1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MT-CO2 P00403 2/20 0.56
▸ ALOX5 P09917 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ F2 P00734 1/20 0.53
▸ PLG P00747 1/20 0.53
▸ ELANE P08246 1/20 0.53
▸ CTSG P08311 1/20 0.53
▸ CMA1 P23946 1/20 0.53
▸ CTRC Q99895 1/20 0.53
▸ CYP2C9 P11712 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL8147581 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL3884759 0.87 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL13783795 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL1023519 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL12372537 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL3242391 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL3242390 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL6747736 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL7829113 0.81 ALDH1A1 (0.93) ALDH1A1KMT2AMEN1MT-CO2ALOX5
SCHEMBL5770320 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MT-CO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 — — US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 — — US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 — — EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 — — WO 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 ALDH1A1 1413/4885KMT2A 1869/4885MEN1 2971/4885

“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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