SCHEMBL2706484

SCHEMBL2706484

CC(C)C(=O)Nc1cnc2ccccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MDM4 O15151 2/20 0.46
MALT1 Q9UDY8 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GRM4 Q14833 1/20 0.44
CETP P11597 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
MDM2 Q00987 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2707298 0.84 KMT2A (0.55) TP53MALT1NPC1RAB9ASMN1; SMN2
SCHEMBL2682720 0.80 ALDH1A1 (0.47) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2707418 0.80 KDM4E (0.45) TP53MALT1NPC1RAB9ACETP
SCHEMBL2709571 0.79 HTT (0.51) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2708169 0.78 BCHE (0.56) NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL2709340 0.78 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL20564258 0.78 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL13100945 0.78 PTPN1 (0.60) TP53MDM4RAB9ASMN1; SMN2ALDH1A1
SCHEMBL202175 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL671016 0.76 ALDH1A1 (0.54) NPC1RAB9ACETPSMN1; SMN2ALDH1A1

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-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 TP53 154/4885MDM4 242/4885MALT1 59/4885

“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.