SCHEMBL3324550

SCHEMBL3324550

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
APP P05067 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 1/20 0.43
PDE7A Q13946 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL3324546 1.00 CRHR1 (0.45) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL3324545 1.00 CRHR1 (0.45) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438297 0.84 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL438854 0.82 ALDH1A1 (0.47) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438852 0.82 ALDH1A1 (0.47) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438853 0.82 ALDH1A1 (0.47) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438412 0.81 ALDH1A1 (0.46) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438411 0.81 ALDH1A1 (0.46) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL438413 0.81 ALDH1A1 (0.46) CRHR1ALDH1A1KDM4EAPPMEN1
SCHEMBL442308 0.80 MAPT (0.47) CRHR1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CRHR1 167/4885ALDH1A1 1909/4885KDM4E 1897/4885

“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.