SCHEMBL405334

SCHEMBL405334

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.41
ALDH1A3 P47895 1/20 0.40
CTSB P07858 1/20 0.39
AR P10275 1/20 0.39
BACE1 P56817 1/20 0.38
HPGD P15428 1/20 0.38
ERN1 O75460 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1238283 0.88 MAPK1 (0.44) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL1590012 0.88 MAPK1 (0.44) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL438423 0.82 LMNA (0.60) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL406583 0.82 LMNA (0.60) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL405824 0.82 TSHR (0.49) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL6194046 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30603181 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL8533307 0.80 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL10325398 0.79 BACE1 (0.51) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL463613 0.79 MAPT (0.40) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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 ALDH1A1 1909/4885MAPT 2336/4885L3MBTL1 3666/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885MAPT 2336/4885L3MBTL1 3666/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885MAPT 2336/4885L3MBTL1 3666/4885

“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.