SCHEMBL5025964

SCHEMBL5025964

COc1ccc(NC(=O)N(S)CCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.60
NPY5R Q15761 1/20 0.55
HTT P42858 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CRHBP P24387 1/20 0.52
CYP2C19 P33261 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KLK7 P49862 5/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
GAA P10253 2/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 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
SCHEMBL2428039 0.83 CASR (0.63) CASRHTTMEN1KMT2ALMNA
SCHEMBL4394346 0.82 CASR (0.67) CASRNPY5RHTTMEN1KMT2A
SCHEMBL2434172 0.75 CASR (1.00) CASRHTTMEN1KMT2ALMNA
SCHEMBL6020143 0.75 ALDH1A1 (0.49) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL4396887 0.73 CASR (0.65) CASRNPY5RALDH1A1
SCHEMBL2430777 0.72 CASR (0.76) CASRHTTMEN1KMT2ALMNA
SCHEMBL6715776 0.70 KLK7 (0.61) CASRNPY5RHTTMEN1KMT2A
SCHEMBL29140896 0.70 ALDH1A1 (0.71) HTTMEN1KMT2ANPSR1RAB9A
SCHEMBL1420595 0.70 RAB9A (0.59) NPY5RHTTMEN1KMT2ACYP1A2
SCHEMBL5025961 0.70 MAPT (0.79) CASRHTTMEN1KMT2ALMNA

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-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 2/4885NPY5R 186/4885HTT 3964/4885

“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.