SCHEMBL4628754

SCHEMBL4628754

NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 4/20 0.67
NPSR1 Q6W5P4 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SCN5A Q14524 3/20 0.60
SCN2A Q99250 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
ADORA2A P29274 2/20 0.55
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.53
HRH2 P25021 2/20 0.50
HRH4 Q9H3N8 2/20 0.50
ERAP1 Q9NZ08 1/20 0.49
SIRT1 Q96EB6 2/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MC5R P33032 2/20 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
SCHEMBL4628984 0.80 MEN1 (0.80) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4629003 0.80 MEN1 (1.00) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4628731 0.80 SCN5A (0.84) L3MBTL1SCN5ASCN2AGAA
SCHEMBL4628823 0.80 MAPT (0.66) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4628482 0.76 KMT2A (0.66) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4629273 0.75 SCN5A (1.00) SCN5ASCN2A
SCHEMBL4628422 0.75 MAPT (0.71) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL2799588 0.74 MC5R (0.64) MEN1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4629230 0.73 SCN5A (0.68) MEN1KMT2ASCN5ASCN2ASMN1; SMN2
SCHEMBL4629468 0.73 SCN2A (0.72) MAPTNPSR1L3MBTL1SCN5ASCN2A

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 3 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

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 MEN1 1819/4885KMT2A 3245/4885MAPT 705/4885

“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.