SCHEMBL18615448

SCHEMBL18615448

COc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 6/20 0.46
▸ BRAF P15056 1/20 0.45
▸ RAF1 P04049 3/20 0.45
▸ LDHA P00338 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ P2RY1 P47900 1/20 0.42

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
SCHEMBL20357297 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL20357329 0.88 EPHX2 (0.44) EPHX2RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL18615450 0.88 EPHX2 (0.44) EPHX2RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL18615486 0.87 EPHX2 (0.56) EPHX2RAF1
SCHEMBL20357343 0.87 EPHX2 (0.56) EPHX2RAF1
SCHEMBL20976451 0.86 EPHX2 (0.56) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL20357285 0.86 EPHX2 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18615626 0.86 EPHX2 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18615515 0.86 ABL1 (0.49) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL20357352 0.86 ABL1 (0.49) ALDH1A1KDM4ELMNAPOLBMAPT

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 8 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-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-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

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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 MEN1 603/4885KMT2A 3875/4885ALDH1A1 1393/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 MEN1 603/4885KMT2A 3875/4885ALDH1A1 1393/4885

“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.

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