SCHEMBL9497600

SCHEMBL9497600

FC(F)(F)c1ccccc1CCCl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
DAO P14920 1/20 0.46
CNR1 P21554 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
POLQ O75417 1/20 0.40
GAA P10253 1/20 0.38
NR3C2 P08235 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
SCHEMBL7565107 0.88 IDO1 (0.48) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL17329111 0.86 IDO1 (0.59) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL121915 0.82 IDO1 (0.55) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL29560223 0.82 IDO1 (0.55) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL2089439 0.80 IDO1 (0.53) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL327569 0.78 IDO1 (0.52) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL11062283 0.78 IDO1 (0.52) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL3126891 0.78 IDO1 (0.52) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL2090315 0.78 IDO1 (0.52) IDO1ALDH1A1KDM4EATMDAO
SCHEMBL5609142 0.78 IDO1 (0.52) IDO1ALDH1A1KDM4EATMDAO

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-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 US disclosed
US-5202444-A 1L-1,2:5,6-di-O-cyclohexylidene-chiro-inositol derivatives; intermediates for diols and hydroxycarboxylic acids and esters and antibiotics THE YOKOHAMA RUBBER CO., LTD. (JP) 1993-04-13 US disclosed
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed
EP-0251775-A2 Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles ROHM AND HAAS COMPANY (US) 1988-01-07 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-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC IDO1 1099/4885ALDH1A1 3956/4885KDM4E 2037/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC IDO1 1099/4885ALDH1A1 3956/4885KDM4E 2037/4885

“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.