SCHEMBL2707418

SCHEMBL2707418

CC(C)(C)C(=O)Nc1cnc2ccccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
KLF5 Q13887 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CETP P11597 1/20 0.44
XBP1 P17861 1/20 0.43
TOP2A P11388 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 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) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL847633 0.80 MEN1 (0.62) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2706484 0.80 TP53 (0.46) KDM4EALDH1A1SMN1; SMN2CETPRAB9A
SCHEMBL2682720 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2709571 0.79 HTT (0.51) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2709340 0.78 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL20564258 0.78 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MITFMEN1
SCHEMBL2708169 0.78 BCHE (0.56) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL202175 0.76 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL671016 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2CETP

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 KDM4E 2441/4885ALDH1A1 1123/4885HPGD 991/4885

“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.