SCHEMBL3237598

SCHEMBL3237598

O=C1c2ccccc2C(=O)N1C1(CO)Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RNASEH1 O60930 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22813353 0.83 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL3242433 0.78 ALDH1A1 (0.38) KMT2AKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL25174808 0.73 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL17865988 0.68 PARP1 (0.40) KMT2AALDH1A1TSHR
SCHEMBL15630925 0.67 LMNA (0.64) KDM4ESMN1; SMN2HTTALDH1A1CA9
SCHEMBL10427193 0.67 NPSR1 (0.42) KMT2AKDM4ESMN1; SMN2HTTRNASEH1
SCHEMBL30492670 0.66 BUB1 (0.40) KMT2AALDH1A1
SCHEMBL7185718 0.66 BUB1 (0.40) KMT2AALDH1A1
SCHEMBL1599486 0.66 ALDH1A1 (0.38) KMT2AKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL25464698 0.66 ALDH1A1 (0.38) KMT2AALDH1A1CYP2C9CYP2C19MEN1

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 KMT2A 1869/4885KDM4E 4105/4885SMN1; SMN2 2529/4885

“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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