SCHEMBL3092111

SCHEMBL3092111

Cc1[nH]c2ccccc2c(=O)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.69
HTT P42858 2/20 0.62
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
ATM Q13315 1/20 0.61
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 4/20 0.52
TNKS2 Q9H2K2 2/20 0.52
CYP2C19 P33261 1/20 0.52
DAO P14920 1/20 0.52
DDO Q99489 1/20 0.52
SLC2A1 P11166 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
SCHEMBL29420757 0.82 AHR (1.00) AHRHTTALDH1A1GAAKDM4E
SCHEMBL154593 0.82 AHR (1.00) AHRHTTALDH1A1GAAKDM4E
SCHEMBL30462974 0.82 HTT (0.61) AHRHTTALDH1A1GAAKDM4E
SCHEMBL14937732 0.82 HTT (0.61) AHRHTTALDH1A1GAAKDM4E
SCHEMBL7162004 0.80 HTT (0.59) AHRHTTALDH1A1GAAKDM4E
SCHEMBL13681192 0.80 DAO (0.58) AHRHTTALDH1A1GAAKDM4E
SCHEMBL20258222 0.80 HTT (0.59) AHRHTTALDH1A1GAAKDM4E
SCHEMBL3092106 0.80 GAA (0.57) AHRHTTALDH1A1GAAKDM4E
SCHEMBL31563569 0.80 HTT (0.59) AHRHTTALDH1A1GAAKDM4E
SCHEMBL5114407 0.80 HTT (0.59) AHRHTTALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
EP-1364951-B1 Triazoquinolone derivatives as pest controllers MEIJI SEIKA PHARMA CO LTD (JP) 2012-05-02 EP disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
EP-0407192-B1 4-Acyloxyquinoline derivatives and insecticidal or acaricidal compositions containing same MEIJI SEIKA CO (JP) 1997-03-05 EP disclosed
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
US-5190952-A 4-ACYLOXYQUINOLINE DERIVATIVES AND INSECTICIDAL OR ACARICIDAL COMPOSITIONS CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1993-03-02 US disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed
EP-0407192-A2 4-Acyloxyquinoline derivatives and insecticidal or acaricidal compositions containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-09 EP 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 (2 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-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 AHR 8/4885HTT 3311/4885ALDH1A1 742/4885
US-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK AHR 781/4885HTT 4209/4885ALDH1A1 524/4885

“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.