SCHEMBL4628823

SCHEMBL4628823

NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
NPSR1 Q6W5P4 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ECE1 P42892 1/20 0.60
SCN5A Q14524 2/20 0.57
SCN2A Q99250 2/20 0.57
ADORA2A P29274 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.51
HRH2 P25021 2/20 0.49
HRH4 Q9H3N8 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 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
SCHEMBL4629003 0.80 MEN1 (1.00) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628754 0.80 MEN1 (0.67) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628984 0.80 MEN1 (0.80) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628471 0.78 SCN5A (0.84) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL4628444 0.77 SCN5A (0.70) MEN1KMT2ASCN5ASCN2ASMN1; SMN2
SCHEMBL4628482 0.75 KMT2A (0.66) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL4628422 0.74 MAPT (0.71) MAPTMEN1KMT2ANPSR1L3MBTL1
SCHEMBL28969157 0.73 ECE1 (0.71) MAPTMEN1KMT2AECE1SMN1; SMN2
SCHEMBL30353801 0.73 ECE1 (0.71) MAPTMEN1KMT2AECE1SMN1; SMN2
SCHEMBL2799588 0.73 MC5R (0.64) MAPTMEN1KMT2ANPSR1L3MBTL1

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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 MAPT 705/4885MEN1 1819/4885KMT2A 3245/4885

“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.