SCHEMBL2438339

SCHEMBL2438339

COC(=O)c1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.79
MAPT P10636 8/20 0.69
LMNA P02545 7/20 0.69
ALOX12 P18054 7/20 0.69
HTT P42858 6/20 0.69
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
ALPL P05186 3/20 0.69
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 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
SCHEMBL2431204 0.90 MAPT (0.66) CASRMAPTLMNAALOX12HTT
SCHEMBL2430642 0.88 CASR (1.00) CASRMAPTALDH1A1MEN1KMT2A
SCHEMBL2436352 0.88 CASR (0.77) CASRMAPTLMNAALOX12HTT
SCHEMBL23455414 0.81 RAB9A (0.65) MAPTLMNAALOX12HTTALDH1A1
SCHEMBL2431910 0.81 CASR (0.85) CASRMAPTMEN1KMT2ARAB9A
SCHEMBL2432077 0.80 CASR (0.83) CASRMAPTLMNAALOX12HTT
SCHEMBL2434317 0.78 CASR (0.81) CASRMAPTALDH1A1MEN1KMT2A
SCHEMBL2427158 0.78 CASR (0.78) CASRMAPTALDH1A1MEN1KMT2A
SCHEMBL14096335 0.76 RAB9A (0.77) MAPTLMNAALOX12ALDH1A1MEN1
SCHEMBL2429603 0.76 CASR (0.77) CASRMAPTLMNAHTTALDH1A1

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 4 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
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 2/4885MAPT 1435/4885LMNA 3794/4885

“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.