SCHEMBL406499

SCHEMBL406499

Clc1ccc2c(c1)nc(Cl)c1ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.51
ALDH1A1 P00352 3/20 0.47
CCR1 P32246 2/20 0.45
CCR8 P51685 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.41
SOS2 Q07890 1/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
HSP90AA1 P07900 3/20 0.40
MMP14 P50281 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
SLC6A2 P23975 2/20 0.40
OPRK1 P41145 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL1008420 0.85 NR4A2 (0.50) NR4A2ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL17835869 0.74 NR4A2 (0.49) NR4A2ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL405622 0.74 HRH4 (0.52) KDM4EAPP
SCHEMBL1062946 0.72 ADORA3 (0.55) NR4A2ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL15281215 0.71 NR4A2 (0.50) NR4A2POLBSOS2KMT2A
SCHEMBL9822370 0.70 CYP3A4 (0.63) NR4A2CCR1CCR8L3MBTL1POLB
SCHEMBL406787 0.70 POLB (0.41) NR4A2POLBSOS2LMNAMAPT
SCHEMBL17703185 0.69 ALDH1A1 (0.46) NR4A2ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL17703187 0.69 ALDH1A1 (0.46) NR4A2ALDH1A1CCR1CCR8L3MBTL1
SCHEMBL27999878 0.69 NR4A2 (0.59) NR4A2ALDH1A1POLBSOS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR4A2 755/4885ALDH1A1 1909/4885CCR1 303/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NR4A2 755/4885ALDH1A1 1909/4885CCR1 303/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NR4A2 755/4885ALDH1A1 1909/4885CCR1 303/4885

“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.