SCHEMBL406583

SCHEMBL406583

O=[N+]([O-])c1ccc(Cl)cc1/C=C/N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 6/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BACE1 P56817 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KIF18A Q8NI77 1/20 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
SCHEMBL438423 1.00 LMNA (0.60) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL405334 0.82 ALDH1A1 (0.43) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL405824 0.82 TSHR (0.49) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL15647608 0.81 ALDH1A1 (0.47) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL8533307 0.80 ALDH1A1 (0.62) POLBALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL6194046 0.80 ALDH1A1 (0.62) POLBALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL30603181 0.80 ALDH1A1 (0.62) POLBALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL463613 0.79 MAPT (0.40) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL10325398 0.79 BACE1 (0.51) LMNAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL12246126 0.79 MAPT (0.44) LMNAALDH1A1MAPK1L3MBTL1MEN1

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 12 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
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

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 LMNA 4599/4885POLB 4705/4885ALDH1A1 1909/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885ALDH1A1 1909/4885

“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.