SCHEMBL438854

SCHEMBL438854

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
APP P05067 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CRHR1 P34998 1/20 0.43
LMNA P02545 1/20 0.43
IDH1 O75874 1/20 0.42
PHGDH O43175 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
SCHEMBL438853 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL438852 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL438412 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL438411 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL438413 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL463556 0.82 MAPT (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3324545 0.82 CRHR1 (0.45) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL3324546 0.82 CRHR1 (0.45) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL3324550 0.82 CRHR1 (0.45) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL20302026 0.81 MAPT (0.57) ALDH1A1MEN1POLBKMT2AMAPT

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 6 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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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 1909/4885KDM4E 1897/4885MEN1 667/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885KDM4E 1897/4885MEN1 667/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885KDM4E 1897/4885MEN1 667/4885

“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.