SCHEMBL442309

SCHEMBL442309

CC(N)=NNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
PKM P14618 1/20 0.47
CRHR1 P34998 1/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
PDE7A Q13946 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.41

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
SCHEMBL442307 1.00 MAPT (0.47) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL442308 1.00 MAPT (0.47) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL438413 0.83 ALDH1A1 (0.46) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL438411 0.83 ALDH1A1 (0.46) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL438412 0.83 ALDH1A1 (0.46) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL3324545 0.80 CRHR1 (0.45) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL3324546 0.80 CRHR1 (0.45) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL3324550 0.80 CRHR1 (0.45) MAPTPKMCRHR1MAPK1TSHR
SCHEMBL463192 0.79 MAPT (0.50) MAPTPKMMAPK1L3MBTL1LMNA
SCHEMBL438852 0.79 ALDH1A1 (0.47) MAPTPKMCRHR1MAPK1TSHR

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 3 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US 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 MAPT 2336/4885PKM 4006/4885CRHR1 167/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885PKM 4006/4885CRHR1 167/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885PKM 4006/4885CRHR1 167/4885

“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.