SCHEMBL2428037

SCHEMBL2428037

COc1ccc(CNC(=S)NCCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.73
ALDH1A1 P00352 6/20 0.66
PKM P14618 1/20 0.66
HTT P42858 5/20 0.62
MAPT P10636 4/20 0.62
ALOX12 P18054 4/20 0.62
LMNA P02545 4/20 0.62
ALPL P05186 2/20 0.62
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MAPK1 P28482 1/20 0.59
MAOB P27338 1/20 0.58
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL2432652 0.84 CASR (1.00) CASRHTTLMNAKMT2AMEN1
SCHEMBL5025961 0.83 MAPT (0.79) CASRALDH1A1HTTMAPTALOX12
SCHEMBL3822991 0.81 ALDH1A1 (1.00) ALDH1A1PKMHTTMAPTALOX12
SCHEMBL5450386 0.76 MAOB (0.89) ALDH1A1PKMHTTMAPTALOX12
SCHEMBL6322828 0.75 MEN1 (0.86) CASRALDH1A1HTTLMNASMN1; SMN2
SCHEMBL20085629 0.74 ALOX12 (0.67) ALDH1A1PKMMAPTALOX12LMNA
SCHEMBL3456855 0.74 MEN1 (0.78) CASRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20496927 0.74 ALDH1A1 (0.83) ALDH1A1PKMHTTMAPTALOX12
SCHEMBL20536913 0.73 MAOB (1.00) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL2428039 0.73 CASR (0.63) CASRALDH1A1HTTMAPTLMNA

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
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885ALDH1A1 785/4885PKM 2491/4885

“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.