SCHEMBL3633835

SCHEMBL3633835

CC(C)(C)Nc1cccc(Cl)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CXCL8 P10145 2/20 0.37
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.35
LMNA P02545 3/20 0.35
PDK1 Q15118 4/20 0.35
PDK2 Q15119 4/20 0.35
PDK3 Q15120 4/20 0.35
PDK4 Q16654 4/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL13900955 0.79 MEN1 (0.56) MEN1MAPK1KMT2ACXCL8LMNA
SCHEMBL10294014 0.79 PDK1 (0.44) MEN1MAPK1KMT2AALDH1A1CXCL8
SCHEMBL394341 0.77 ALDH1A1 (0.41) MEN1MAPK1KMT2ARAPGEF4ALDH1A1
SCHEMBL31383999 0.76 EGFR (0.36) ALDH1A1EGFRIDO1PDK1PDK2
SCHEMBL22131081 0.76 MEN1 (0.41) MEN1MAPK1KMT2ARAPGEF4CXCL8
SCHEMBL19848285 0.74 EGFR (0.43) MEN1MAPK1KMT2AALDH1A1EGFR
SCHEMBL21966130 0.73 NPSR1 (0.40) MEN1MAPK1KMT2ARAPGEF4ALDH1A1
SCHEMBL3786366 0.72 ALDH1A1 (0.38) MEN1MAPK1KMT2AALDH1A1EGFR
SCHEMBL9376507 0.72 ALDH1A1 (0.47) MEN1MAPK1KMT2ARAPGEF4ALDH1A1
SCHEMBL3633712 0.72 NR4A2 (0.45) MEN1KMT2AALDH1A1CXCL8EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679299-A Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 NOVARTIS AG 2010-03-24 CN disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 MEN1 2460/4885MAPK1 2649/4885KMT2A 3032/4885

“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.