SCHEMBL19511981

SCHEMBL19511981

C=C(OCC)c1cc(C(=O)OC)c(=O)n(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
NR4A2 P43354 1/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 1/20 0.41
BRD4 O60885 1/20 0.41
HPGD P15428 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL23146924 0.89 MEN1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19511908 0.81 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL28430420 0.79 KDM4E (0.63) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL679127 0.76 MAPT (0.61) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL198437 0.75 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL18044628 0.73 LMNA (0.59) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL18044652 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTGABRA1
SCHEMBL28675591 0.71 MEN1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1883282 0.71 ALDH1A1 (0.75) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL18703780 0.70 KDM4E (0.48) ALDH1A1KDM4ELMNAKMT2AMAPT

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
EP-3239147-B1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2019-08-28 EP disclosed
US-10208034-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-19 US disclosed
US-20170349583-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-12-07 US disclosed
EP-3239147-A1 QUINOLINE DERIVATIVE Ono Pharmaceutical Co., Ltd. (JP) 2017-11-01 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-20170349583-A1 QUINOLINE DERIVATIVE FLT3, AXL, ABL1 ALDH1A1 3586/4885KDM4E 972/4885LMNA 4461/4885
US-10208034-B2 Quinoline derivative FLT3, AXL, ABL1 ALDH1A1 3586/4885KDM4E 972/4885LMNA 4461/4885

“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.