SCHEMBL20976437

SCHEMBL20976437

O=C(Nc1cc(CN2CCOCC2)cc(OC(F)(F)F)c1)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.54
▸ EPHX1 P07099 2/20 0.54
▸ CXCR3 P49682 2/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ACKR3 P25106 1/20 0.47

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
SCHEMBL18615628 0.85 CXCR3 (0.57) EPHX2CXCR3NPC1RAB9AKMT2A
SCHEMBL20976418 0.82 EPHX2 (0.65) EPHX2EPHX1CXCR3NPC1RAB9A
SCHEMBL20976436 0.80 EPHX2 (0.46) EPHX2CXCR3ABL1KCNH2
SCHEMBL29739488 0.77 ABL1 (0.55) EPHX2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31441055 0.77 ABL1 (0.55) EPHX2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL26739652 0.76 ABL1 (0.49) EPHX2NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL12196159 0.72 EPHX2 (1.00) EPHX2EPHX1NPC1RAB9A
SCHEMBL29177190 0.71 ABL1 (0.50) EPHX2ABL1KCNH2KDM4E
SCHEMBL20976417 0.71 EPHX2 (0.50) EPHX2
SCHEMBL13663053 0.70 CXCR3 (0.67) EPHX2CXCR3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US 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 (1 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 EPHX2 4826/4885EPHX1 4496/4885CXCR3 2718/4885

“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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