SCHEMBL15828537

SCHEMBL15828537

O=C1OCn2c(=O)ccc3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TYMS P04818 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
PARP1 P09874 3/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MPO P05164 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL11398596 0.81 HTR1A (0.36) TYMSKDM4EHTR1ADRD2MCL1
SCHEMBL19751542 0.79 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL19737428 0.72 MAOA (0.32) ALDH1A1TYMSKDM4EHPGDHSD17B10
SCHEMBL3232440 0.72 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL4999235 0.66 HTR1A (0.38) ALDH1A1KDM4EHPGDHTR1ADRD2
SCHEMBL4421682 0.64 HTR1A (0.46) ALDH1A1KDM4EHPGDHSD17B10HTR1A
SCHEMBL10967544 0.64 CA12 (0.41) ALDH1A1TYMSKDM4EHPGDHSD17B10
SCHEMBL5982877 0.63 HTR1A (0.36) HTR1ADRD2CA12BRD4BRPF1
SCHEMBL11207376 0.62 HPGD (0.55) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL2292376 0.61 HTR1A (0.43) HTR1ADRD2CA12BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-14 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-2751083-B1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-27 EP disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US 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 (9 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885TYMS 3187/4885KDM4E 2957/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885TYMS 3187/4885KDM4E 2957/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885TYMS 3187/4885KDM4E 2957/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885TYMS 3187/4885KDM4E 2957/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP ALDH1A1 1492/4885TYMS 3284/4885KDM4E 3197/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1466/4885TYMS 3280/4885KDM4E 3068/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885TYMS 3187/4885KDM4E 2957/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 ALDH1A1 1573/4885TYMS 2302/4885KDM4E 2926/4885
US-20210317111-A1 NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE FABP2, SLC10A2, NFKBIA ALDH1A1 2400/4885TYMS 2802/4885KDM4E 3338/4885

“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.