SCHEMBL20357279

SCHEMBL20357279

O=C(O)N[C@H]1CC[C@H](Oc2nccc(N3CCOCC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.45
▸ PIK3CA P42336 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ ACACB O00763 9/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40

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
SCHEMBL18615424 0.86 CKS1B (0.47) MAPK14ACACBLRRK2RAF1BRAF
SCHEMBL20357409 0.80 LRRK2 (0.44) ALDH1A1HSD17B10KDM4EHPGDACACB
SCHEMBL20357391 0.80 HRH3 (0.48) MAPK14PIK3CAALDH1A1TSHRHSD17B10
SCHEMBL18615426 0.80 HRH3 (0.48) MAPK14PIK3CAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL20357392 0.79 HRH3 (0.47) MAPK14PIK3CAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL20357393 0.79 HRH3 (0.47) MAPK14PIK3CAALDH1A1TSHRHSD17B10
SCHEMBL20357324 0.77 CYP2C19 (0.50) PIK3CAALDH1A1TSHRHSD17B10KDM4E
SCHEMBL18615642 0.75 EPHX2 (0.46) LMNAMAPTRAF1
SCHEMBL20357270 0.74 EPHX2 (0.47) ALDH1A1KDM4EGAACYP2C19
SCHEMBL29862040 0.72 GBA1 (0.38) PIK3CAALDH1A1TSHRHSD17B10KDM4E

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 4 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
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

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 MAPK14 584/4885PIK3CA 3069/4885ALDH1A1 1393/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 MAPK14 584/4885PIK3CA 3069/4885ALDH1A1 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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