SCHEMBL4115069

SCHEMBL4115069

COc1cccc(NC(=O)N(CCNC(=O)Nc2cccc(C(F)(F)F)c2)CCN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.52
▸ CASR P41180 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ DCUN1D1 Q96GG9 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CCR3 P51677 3/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ UBE2M P61081 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL4107357 0.92 CASR (0.58) CASRHRH3EPHX2DCUN1D1CCR3
SCHEMBL4106984 0.89 EPHX2 (0.58) CASRHRH3EPHX2DCUN1D1CCR3
SCHEMBL4118060 0.88 EPHX2 (0.59) CASRHRH3EPHX2DCUN1D1CCR3
SCHEMBL4111553 0.87 CASR (0.53) CASRHRH3EPHX2DCUN1D1ALDH1A1
SCHEMBL4117632 0.86 HTT (0.55) ALOX15CASRALDH1A1ROCK2ROCK1
SCHEMBL4116411 0.85 CNR1 (0.54) CASREPHX2DCUN1D1CCR3UBE2M
SCHEMBL4116393 0.85 EPHX2 (0.52) ALOX15HRH3EPHX2ALDH1A1CCR3
SCHEMBL4125793 0.84 EPHX2 (0.53) ALOX15HRH3EPHX2ALDH1A1CCR3
SCHEMBL4124304 0.81 MEN1 (0.58) CASRHRH3EPHX2CCR3POLB
SCHEMBL4119717 0.80 EPHX2 (0.57) CASRHRH3EPHX2CCR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — 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 (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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS ALOX15 1804/4885CASR 2199/4885HRH3 1086/4885

“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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