SCHEMBL3239081

SCHEMBL3239081

N[C@H]1Cc2ccc(-c3ccco3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.48
TAAR1 Q96RJ0 2/20 0.46
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
SRD5A1 P18405 2/20 0.40
HTR2C P28335 1/20 0.40
ERN1 O75460 1/20 0.40
PGR P06401 1/20 0.39
KEAP1 Q14145 1/20 0.38
FYN P06241 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL13291978 0.83 TDP2 (0.48) TDP2TAAR1SRD5A1ERN1PGR
SCHEMBL28662479 0.73 KDM1A (0.51) TDP2CA1CA2CA12CA7
SCHEMBL17729349 0.71 FAAH (0.44) CA1CA2CA12CA7CA14
SCHEMBL3780448 0.69 AADAT (0.56) TDP2
SCHEMBL394300 0.69 TAAR1 (0.76) TAAR1HTR2CERN1PGRKEAP1
SCHEMBL26259745 0.68 PGR (0.62) TDP2TAAR1ERN1PGRKEAP1
SCHEMBL15519549 0.67 TAAR1 (0.61) TAAR1ERN1PGRKEAP1PRMT6
SCHEMBL30487922 0.66 TAAR1 (0.73) TAAR1HTR2CERN1PGRKEAP1
SCHEMBL19662062 0.66 TAAR1 (0.58) TAAR1ERN1PGRKEAP1PRMT6
SCHEMBL26259868 0.66 PGR (0.61) TDP2TAAR1ERN1PGRKEAP1

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 TDP2 3640/4885TAAR1 115/4885CA1 3673/4885

“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.