SCHEMBL4629003

SCHEMBL4629003

NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
NPSR1 Q6W5P4 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MAPT P10636 2/20 0.80
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
SIRT1 Q96EB6 1/20 0.64
SCN5A Q14524 4/20 0.58
SCN2A Q99250 4/20 0.58
ADORA2A P29274 2/20 0.55
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
ERAP1 Q9NZ08 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
RXFP3 Q9NSD7 1/20 0.50
GOT1 P17174 1/20 0.50
HRH2 P25021 1/20 0.50

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 0.89 MEN1 (0.80) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4628422 0.83 MAPT (0.71) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4628754 0.80 MEN1 (0.67) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4628482 0.80 KMT2A (0.66) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4628823 0.80 MAPT (0.66) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4629035 0.78 SCN2A (0.83) MEN1KMT2ANPSR1L3MBTL1RAB9A
SCHEMBL2799588 0.74 MC5R (0.64) MEN1KMT2ANPSR1L3MBTL1MAPT
SCHEMBL4628688 0.72 SCN5A (1.00) SCN5ASCN2A
SCHEMBL5513944 0.72 MAPT (0.57) MEN1KMT2ANPSR1L3MBTL1MAPT
Bromide SCHEMBL11510413 0.71 MEN1 (0.62) MEN1KMT2ANPSR1L3MBTL1MAPT

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 3245/4885NPSR1 2104/4885

“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.