SCHEMBL7501391

SCHEMBL7501391

CC(C)(C)c1ccc2[nH]c(=O)c(C#N)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.55
GRM1 Q13255 1/20 0.50
CSNK1D P48730 1/20 0.40
CSNK1G2 P78368 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GALR3 O60755 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP2C19 P33261 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
BLM P54132 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL19751545 0.80 DAO (0.58) IDH1KDM4EHPGDGALR3ALDH1A1
SCHEMBL29891877 0.78 IMPDH2 (0.51) IDH1KDM4EHPGDGALR3ALDH1A1
SCHEMBL10690995 0.77 KDM4E (0.43) IDH1KDM4EHPGDGALR3ALDH1A1
SCHEMBL7264461 0.76 IDH1 (0.51) IDH1KDM4EHPGDGALR3ALDH1A1
SCHEMBL10691248 0.76 DAO (0.58) IDH1
SCHEMBL8139952 0.76 FLT3 (0.49) IDH1GAA
SCHEMBL7499153 0.76 IDH1 (0.58) IDH1KDM4EALDH1A1GAALMNA
SCHEMBL10692726 0.75 KDM4E (0.45) IDH1KDM4EHPGDGALR3ALDH1A1
SCHEMBL17603426 0.74 IDH1 (0.44) IDH1GRM1KDM4EHPGDALDH1A1
SCHEMBL29890500 0.74 BRD4 (0.55) IDH1KDM4EHPGDGALR3ALDH1A1

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-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
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-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-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-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
EP-0905133-B1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-04-24 EP disclosed
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed
EP-0905133-A1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO. LTD. (JP) 1999-03-31 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 (8 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 IDH1 524/4885GRM1 4203/4885CSNK1D 143/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 IDH1 524/4885GRM1 4203/4885CSNK1D 143/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 IDH1 524/4885GRM1 4203/4885CSNK1D 143/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 IDH1 524/4885GRM1 4203/4885CSNK1D 143/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP IDH1 613/4885GRM1 4241/4885CSNK1D 186/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 IDH1 551/4885GRM1 4271/4885CSNK1D 166/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 IDH1 524/4885GRM1 4203/4885CSNK1D 143/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 IDH1 641/4885GRM1 4303/4885CSNK1D 137/4885

“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.