SCHEMBL1640650

SCHEMBL1640650

CC(C)(C)Oc1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL4270825 0.86 MEN1 (0.37) KMT2AGAAMEN1
SCHEMBL24244790 0.79 NNMT (0.42) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL29862129 0.77
SCHEMBL321951 0.77
SCHEMBL24244792 0.76 MEN1 (0.35) KMT2AALDH1A1MEN1
SCHEMBL4949662 0.71 CHRNA4 (0.39) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL22655057 0.71 IL1B (0.46) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2492398 0.70 HTT (0.45) KMT2AALDH1A1MAPTGAACHRNB2
SCHEMBL29367162 0.69
SCHEMBL111337 0.69

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
CN-104211639-A Alkynyl heterocyclic compounds and application thereof SHANGHAI INST MATERIA MEDICA 2014-12-17 CN disclosed
EP-2328586-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2011-06-08 EP disclosed
US-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-04-28 US disclosed
WO-2009142732-A2 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-11-26 WO disclosed
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 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 (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-20110098269-A1 Substituted Pyridazinone Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 KMT2A 923/4885LMNA 4089/4885ALDH1A1 2065/4885

“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.