SCHEMBL1753208

SCHEMBL1753208

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NT5E P21589 1/20 0.56
MAPK1 P28482 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
MAP4K4 O95819 1/20 0.53
SMO Q99835 2/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
PTPN1 P18031 2/20 0.52

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
SCHEMBL31396453 0.87 MAP4K4 (0.54) KMT2ANT5EMAPK1TRPV1KDM4E
SCHEMBL24174772 0.87 MAP4K4 (0.54) KMT2ANT5EMAPK1TRPV1KDM4E
SCHEMBL14021028 0.86 PIK3CA (0.64) ABL1PDGFRBBCRPDGFRA
SCHEMBL14021027 0.82 CAMK2D (0.67) KMT2ANT5EMAPK1L3MBTL1ABL1
SCHEMBL14021038 0.82 CAMK2D (0.71) ABL1PDGFRBBCRPDGFRA
SCHEMBL14021033 0.82 AURKA (0.62) KMT2AMEN1MAPTABL1PDGFRB
SCHEMBL14021032 0.81 PDGFRA (0.62) TRPV1ABL1PDGFRBBCRPDGFRA
SCHEMBL4905540 0.80 ABL1 (0.62) KMT2ANT5EMAPK1L3MBTL1NAMPT
SCHEMBL4393221 0.80 MEN1 (0.73) KMT2AKDM4ENPC1MEN1SMN1; SMN2
SCHEMBL14313610 0.80 TRPV1 (0.72) KMT2ANT5EMAPK1TRPV1KDM4E

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 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
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN disclosed
CN-101048408-B Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-07-06 CN 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
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN 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 KMT2A 2711/4885NT5E 1351/4885MAPK1 555/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KMT2A 2711/4885NT5E 1351/4885MAPK1 555/4885

“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.