SCHEMBL4627482

SCHEMBL4627482

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 10/20 0.59
SCN5A Q14524 9/20 0.59
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 5/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL4628794 0.79 SCN2A (0.74) SCN2ASCN5AALDH1A1NPC1RAB9A
SCHEMBL4627561 0.79 SCN2A (0.80) SCN2ASCN5ACA1CA2ALDH1A1
SCHEMBL4629480 0.78 SCN2A (0.80) SCN2ASCN5AALDH1A1KDM4EMAPT
SCHEMBL4628697 0.77 SCN2A (0.84) SCN2ASCN5AALDH1A1KDM4EMAPT
SCHEMBL4627475 0.75 MTNR1A (0.56) ALDH1A1CRHBPCRHR2KDM4EMAPT
SCHEMBL4628723 0.74 SCN5A (1.00) SCN2ASCN5A
SCHEMBL4628381 0.74 SCN5A (0.98) SCN2ASCN5A
SCHEMBL4629391 0.73 SCN2A (0.81) SCN2ASCN5ACA1CA2CRHBP
SCHEMBL6137921 0.73 KDM4E (0.45) CA1CA2ALDH1A1CRHBPCRHR2
SCHEMBL28690251 0.72 NPC1 (0.71) CA1CA2ALDH1A1CRHBPCRHR2

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 SCN2A 1613/4885SCN5A 1196/4885CA1 812/4885

“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.