SCHEMBL406027

SCHEMBL406027

N#Cc1ncccc1-c1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.43
USP8 P40818 2/20 0.42
USP7 Q93009 2/20 0.42
USP47 Q96K76 1/20 0.39
F10 P00742 1/20 0.39
KMO O15229 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CYP11B1 P15538 1/20 0.37
PDE4A P27815 1/20 0.37
NR4A2 P43354 1/20 0.37
GRM2 Q14416 2/20 0.36
HSD11B1 P28845 1/20 0.36
BACE1 P56817 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MAPT P10636 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
SCHEMBL2657932 0.82 ALOX5AP (0.43) CYP11B2ALOX5APFEN1BACE1MAPT
SCHEMBL2659230 0.82 ALOX5AP (0.39) CYP11B2ALOX5APFEN1BACE1
SCHEMBL6217239 0.76 BACE1 (0.40) CYP11B2ALOX5APFEN1BACE1MAPT
SCHEMBL2651801 0.76 CYP11B2 (0.37) CYP11B2ALOX5APFEN1CYP11B1BACE1
SCHEMBL18434609 0.74 SLC40A1 (0.52) KMOEGLN2PDE4ANR4A2SLC40A1
SCHEMBL23638850 0.72 S100A4 (0.46) KMOEGLN2GRM2HSD11B1
SCHEMBL30598347 0.72 S100A4 (0.46) KMOEGLN2GRM2HSD11B1
SCHEMBL20794290 0.72 EGLN2 (0.50) CYP11B2KMOEGLN2CYP11B1S1PR3
SCHEMBL15916595 0.71 ALOX5AP (0.55) USP8USP7ALOX5APFEN1
SCHEMBL6217241 0.71 MAPT (0.48) BACE1MAPT

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
CN-102388044-A Heterocyclic inhibitors of histamine receptors for the treatment of diseases KALYPSYS INC 2012-03-21 CN disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CYP11B2 2878/4885USP8 2127/4885USP7 2933/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CYP11B2 2878/4885USP8 2127/4885USP7 2933/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CYP11B2 2878/4885USP8 2127/4885USP7 2933/4885

“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.