SCHEMBL3528809

SCHEMBL3528809

Clc1ccc2s[c]c(Cl)c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
ROS1 P08922 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31

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
SCHEMBL3521641 0.74 CYP3A4 (0.36) CYP3A4MAPK1
SCHEMBL7758682 0.60 MEN1 (0.41) MEN1NPC1LMNAPOLBGAA
SCHEMBL348089 0.59 CYP3A4 (0.62) CYP3A4MAPK1LMNATDP1
SCHEMBL29368277 0.59 CYP3A4 (0.62) CYP3A4MAPK1LMNATDP1
SCHEMBL15901930 0.59
SCHEMBL884398 0.58 MPI (0.38) NPC1LMNAPOLBMAPTRAB9A
SCHEMBL3920141 0.58 BCKDK (0.39) CYP3A4MAPK1MEN1NPC1LMNA
Methane SCHEMBL23466796 0.57 CYP3A4 (0.59) CYP3A4MAPK1LMNATDP1
SCHEMBL4533458 0.56 AR (0.36) CYP3A4MAPK1
SCHEMBL20356026 0.56 AHR (0.43) CYP3A4MAPK1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652063-B2 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2010-01-26 US disclosed
US-7169807-B2 10-Hydroxy-11-dihydroprostaglandin analogs as selective EP4 agonists ALLERGAN, INC. (US) 2007-01-30 US disclosed
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2007-01-11 US disclosed
WO-2005100339-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2005-10-27 WO disclosed
US-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2005-10-13 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-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis CRHR2, HRH4, CNR2 CYP3A4 217/4885MAPK1 2099/4885CDC7 3788/4885
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 CYP3A4 167/4885MAPK1 1302/4885CDC7 4114/4885

“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.