SCHEMBL18609593

SCHEMBL18609593

COc1c(C=O)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 4/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
MAPK1 P28482 2/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
PTPN5 P54829 1/20 0.42
KIF11 P52732 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL689056 0.87 ALDH1A1 (0.50) MAPTALDH1A1CYP3A4ALOX15KDM4E
SCHEMBL691025 0.86 TDP1 (0.59) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10321237 0.82 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4ALOX15KDM4E
SCHEMBL10675000 0.80 TDP1 (0.53) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL18615437 0.80 ALDH1A1 (0.47) MAPTALDH1A1CYP3A4ALOX15KDM4E
SCHEMBL18607573 0.79 ALDH1A1 (0.49) MAPTALDH1A1CYP3A4ALOX15KDM4E
SCHEMBL8162628 0.79 TDP1 (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL15851030 0.79 TDP1 (0.51) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL17113788 0.78 MAPT (0.54) MAPTALDH1A1CYP3A4ALOX15KDM4E
SCHEMBL31454148 0.78 ERN1 (0.56) MAPTALDH1A1CYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
US-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2019-01-10 US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
EP-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
EP-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 WO disclosed
WO-2017038871-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 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 (3 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 MAPT 3770/4885ALDH1A1 1393/4885CYP3A4 3512/4885
US-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, SLC14A1, TMEM164 MAPT 2862/4885ALDH1A1 1640/4885CYP3A4 4546/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 MAPT 3770/4885ALDH1A1 1393/4885CYP3A4 3512/4885

“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.