SCHEMBL4824432

SCHEMBL4824432

Cc1cccc(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SIRT2 Q8IXJ6 7/20 0.39
P2RX7 Q99572 1/20 0.38
GRM5 P41594 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
UBE2N P61088 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5682164 0.86 CYP11B1 (0.43) KMT2ASIRT2ENPP2
SCHEMBL4824363 0.85 KDM4E (0.39) KDM4EMEN1KMT2AOPRM1OPRD1
SCHEMBL12510626 0.79 SIRT2 (0.36) KDM4EMEN1KMT2ASIRT2TDP1
SCHEMBL1040045 0.78 CYP11B1 (0.41) KDM4EKMT2ASIRT2MAPTALDH1A1
SCHEMBL28146943 0.78 SIRT2 (0.36) KDM4EMEN1KMT2ASIRT2TDP1
SCHEMBL670904 0.77 CYP11B1 (0.43) KDM4ESIRT2ALDH1A1TDP1L3MBTL1
SCHEMBL2203209 0.77 CDC25B (0.46) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL7803955 0.76 NPC1 (0.36) MEN1KMT2ASIRT2NPC1RAB9A
SCHEMBL7641514 0.76 P2RX7 (0.40) KDM4EKMT2ASIRT2P2RX7ENPP2
SCHEMBL6958462 0.75 SIRT2 (0.34) KDM4ESIRT2ALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 US disclosed
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 US disclosed
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 US disclosed
EP-1791832-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006036507-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20060069143-A1 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 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 (2 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-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A KDM4E 1979/4885MEN1 4331/4885KMT2A 506/4885
US-20060069143-A1 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A KDM4E 1604/4885MEN1 4516/4885KMT2A 633/4885

“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.