SCHEMBL4627475

SCHEMBL4627475

COc1ccc(C(=O)NC(=N)NCC(C)Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.56
MTNR1B P49286 11/20 0.56
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4628790 0.79 NPC1 (0.72) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL4627556 0.78 NPC1 (0.61) MTNR1AMTNR1BALDH1A1NPC1ALOX12
SCHEMBL4629479 0.77 NPC1 (0.56) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL4627482 0.75 SCN2A (0.59) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL4628718 0.74 ALDH1A1 (0.62) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL4628372 0.73 ALDH1A1 (0.61) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL28690251 0.73 NPC1 (0.71) ALDH1A1NPC1ALOX12NPSR1CYP1A2
SCHEMBL4629387 0.73 NPC1 (0.61) ALDH1A1NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10827991 0.71 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1NPC1ALOX12
SCHEMBL4629004 0.71 NPC1 (0.55) MTNR1AMTNR1BALDH1A1NPC1ALOX12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA MTNR1A 776/4885MTNR1B 372/4885ALDH1A1 858/4885

“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.