SCHEMBL4117632

SCHEMBL4117632

COc1cccc(NC(=O)N(CCNC(=O)Nc2ccc(Cl)cc2)CCN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ CNR1 P21554 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CASR P41180 1/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ ROCK1 Q13464 2/20 0.53
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49

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
SCHEMBL4115004 0.89 CNR1 (0.59) HTTCNR1LMNAMEN1KMT2A
SCHEMBL4115069 0.86 ALOX15 (0.52) HTTLMNASMN1; SMN2CASRROCK2
SCHEMBL4107614 0.86 CNR1 (0.71) CNR1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4116411 0.83 CNR1 (0.54) HTTCNR1LMNASMN1; SMN2CASR
SCHEMBL4119968 0.83 ALDH1A1 (0.61) HTTLMNASMN1; SMN2DRD2DRD4
SCHEMBL4114160 0.82 ALDH1A1 (0.59) HTTLMNASMN1; SMN2DRD2DRD4
SCHEMBL4120007 0.81 ALDH1A1 (0.56) HTTLMNASMN1; SMN2CASRROCK2
SCHEMBL4112231 0.80 CNR1 (0.59) CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL4116393 0.80 EPHX2 (0.52) LMNASMN1; SMN2ALOX15ALDH1A1
SCHEMBL4115134 0.80 MEN1 (0.53) CASRALOX15MEN1KMT2AALDH1A1

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-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS HTT 3669/4885CNR1 3201/4885LMNA 3428/4885

“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.

Send feedback