SCHEMBL1753368

SCHEMBL1753368

NC(=O)c1nn(-c2ccccc2)c2nc(-c3ccc(-c4ccnc(N)n4)cc3)n(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 3/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
MAP4K4 O95819 1/20 0.39
PPARA Q07869 1/20 0.38
CDC7 O00311 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
IKBKB O14920 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL1689077 0.87 MAPT (0.48) MAPTALDH1A1TP53PPARACYP3A4
SCHEMBL1689185 0.85 ALDH1A1 (0.43) MAPTKDM4EALDH1A1PKMTP53
SCHEMBL1688912 0.85 MAPT (0.42) MAPTKDM4EALDH1A1PKMTP53
SCHEMBL1689410 0.83 DHFR (0.47) MAPTKDM4EALDH1A1TP53PPARA
SCHEMBL4172932 0.80 ALDH1A1 (0.44) MAPTKDM4EALDH1A1PKMTP53
SCHEMBL1753289 0.80 MAPT (0.63) MAPTKDM4EALDH1A1TP53KMT2A
SCHEMBL1689273 0.77 MAPT (0.52) MAPTKDM4EALDH1A1TP53PPARA
SCHEMBL1689395 0.77 TP53 (0.43) MAPTKDM4EALDH1A1TP53PPARA
SCHEMBL1688985 0.76 MAPT (0.42) MAPTALDH1A1TP53PPARACCNA2
SCHEMBL2116730 0.75 PPARA (0.48) MAPTKDM4EALDH1A1TP53PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885KDM4E 1763/4885ALDH1A1 2743/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885KDM4E 1763/4885ALDH1A1 2743/4885

“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.