SCHEMBL406787

SCHEMBL406787

Clc1ccc2c(c1)nc(Cl)c1nocc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NR4A2 P43354 2/20 0.39
ACHE P22303 4/20 0.36
BCHE P06276 2/20 0.36
CHRM1 P11229 1/20 0.36
EPHX2 P34913 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SOS2 Q07890 1/20 0.34
C1R P00736 2/20 0.34
MPO P05164 1/20 0.34
KMT2A Q03164 1/20 0.34
APEX1 P27695 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL405106 0.87 ALDH1A1 (0.41) NR4A2ACHEBCHELMNAMAPT
SCHEMBL405426 0.84 ACHE (0.36) ACHEESR1CYP1A2MPO
SCHEMBL406452 0.74 LMNA (0.46) ACHEBCHELMNAMAPTMAPK1
SCHEMBL406373 0.74 HTT (0.44) ACHEBCHECYP1A2MAPTKMT2A
SCHEMBL405850 0.74 ADRB2 (0.47) LMNAKMT2A
SCHEMBL405361 0.74 HRH4 (0.50)
SCHEMBL462600 0.71
SCHEMBL12246130 0.71 DHODH (0.38) EPHX2C1R
SCHEMBL406499 0.70 NR4A2 (0.51) POLBNR4A2ESR1ESR2LMNA
SCHEMBL28707763 0.69 NR4A2 (0.44) POLBNR4A2LMNACYP1A2MAPT

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 8 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-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
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

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 POLB 4705/4885NR4A2 755/4885ACHE 659/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885NR4A2 755/4885ACHE 659/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885NR4A2 755/4885ACHE 659/4885

“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.