SCHEMBL4114160

SCHEMBL4114160

COc1cccc(NC(=S)N(CCNC(=S)Nc2ccc(Cl)cc2)CCN2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ LMNA P02545 4/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ QPCT Q16769 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 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
SCHEMBL4119968 0.99 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4120007 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4120282 0.83 MEN1 (0.60) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4124267 0.83 LMNA (0.57) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4117632 0.82 HTT (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL4107647 0.76 LMNA (0.63) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4115004 0.70 CNR1 (0.59) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4114264 0.70 LMNA (0.79) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4118347 0.69 LMNA (0.56) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4115069 0.69 ALOX15 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2HTT

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 ALDH1A1 3256/4885KMT2A 2720/4885MAPT 1996/4885

“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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