SCHEMBL20869403

SCHEMBL20869403

O=C(O)C(Oc1ccc2ncccc2c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 2/20 0.47
PABPC1 P11940 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 2/20 0.44
MET P08581 3/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL20869380 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2CYP3A4
SCHEMBL21881839 0.82 KDM4E (0.64) ALDH1A1KDM4EPPARGPPARAMEN1
SCHEMBL22295335 0.81 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2CYP3A4PABPC1
SCHEMBL534454 0.78 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2CYP3A4PABPC1
Quinoline SCHEMBL5148040 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2PABPC1
SCHEMBL535594 0.77 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CYP3A4PPARG
SCHEMBL22386631 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2CYP3A4
SCHEMBL5267380 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ELMNASMN1; SMN2CYP3A4
SCHEMBL4951421 0.76 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2CYP3A4PPARG
SCHEMBL2494747 0.75 ALDH1A1 (0.72) ALDH1A1CYP3A4PABPC1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200275661-A1 QUINOLINE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
US-20200275661-A1 QUINOLINE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
EP-3689866-A1 QUINOLINE COMPOUND, AND BACTERICIDAL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2020-08-05 EP disclosed
WO-2019065516-A1 QUINOLINE COMPOUND, AND BACTERICIDAL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE 日本曹達株式会社 2019-04-04 WO disclosed
WO-2019065516-A1 QUINOLINE COMPOUND, AND BACTERICIDAL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE 日本曹達株式会社 2019-04-04 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-20200275661-A1 QUINOLINE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CBR3, CNPY2, CYP1A2 ALDH1A1 1883/4885KDM4E 2445/4885LMNA 3912/4885

“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.