SCHEMBL2118061

SCHEMBL2118061

Cc1ccccc1-c1nc2c(-c3ccccc3)n[nH]c2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
PKM P14618 1/20 0.46
TOP2A P11388 1/20 0.40
DHFR P00374 1/20 0.38
PDE5A O76074 3/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM1 Q13255 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE1C Q14123 2/20 0.36
PDE3A Q14432 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1688929 0.87 MAPT (0.52) KDM4EPKMDHFRMAPTMEN1
SCHEMBL1689208 0.84 KDM4E (0.45) KDM4EPKMTOP2ADHFRMAPT
SCHEMBL1688965 0.76 KDM4E (0.44) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL10373808 0.76 ALDH1A1 (0.46) KDM4EDHFRMAPTMEN1KMT2A
SCHEMBL1689295 0.74 DHFR (0.48) KDM4EDHFRMAPTMEN1KMT2A
SCHEMBL1689076 0.72 ALDH1A1 (0.51) KDM4EPKMMAPTMEN1KMT2A
SCHEMBL1688891 0.70 MAPT (0.43) KDM4EDHFRMAPTMEN1KMT2A
SCHEMBL4172454 0.69 LPL (0.40) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL1753558 0.68 GRM1 (0.73) KDM4EMAPTKMT2AGRM1TP53
SCHEMBL1688907 0.68 GRM1 (0.44) KDM4EPKMMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KDM4E 1763/4885PKM 4139/4885TOP2A 4572/4885

“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.