SCHEMBL2117289

SCHEMBL2117289

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.69
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
HTT P42858 2/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GRM1 Q13255 4/20 0.58
GRM5 P41594 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 1/20 0.56
DPP4 P27487 3/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.54

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
SCHEMBL1753212 0.95 TP53 (0.67) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753227 0.94 TP53 (0.66) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753296 0.94 TP53 (0.78) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753239 0.93 GRM1 (0.69) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753542 0.93 GRM1 (0.69) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753282 0.92 TP53 (0.64) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1753240 0.91 TP53 (0.62) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL2114753 0.90 TP53 (0.65) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1688883 0.90 TP53 (0.62) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL1689109 0.90 TP53 (0.65) TP53ALDH1A1HPGDLMNATSHR

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-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-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-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1791600-A1 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 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 (3 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-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR TP53 4351/4885ALDH1A1 1443/4885HPGD 1638/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885ALDH1A1 2743/4885HPGD 1745/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885ALDH1A1 2743/4885HPGD 1745/4885

“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.