SCHEMBL4420939

SCHEMBL4420939

O=C(CCCCCl)Nc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HPGD P15428 1/20 0.57
HDAC6 Q9UBN7 8/20 0.56
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 6/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
NCOR2 Q9Y618 2/20 0.53

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
SCHEMBL18048654 0.95 KMT2A (0.63) MEN1KMT2AHPGDHDAC6HDAC1
SCHEMBL11720766 0.87 KMT2A (0.68) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL28801149 0.84 POLB (0.65) MEN1KMT2AHPGDHDAC6HDAC1
SCHEMBL15480417 0.84 HDAC1 (0.73) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL4654699 0.84 MEN1 (0.63) MEN1KMT2AHPGDHDAC6HDAC1
SCHEMBL28573978 0.83 L3MBTL1 (0.56) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL28412042 0.83 MEN1 (0.54) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL22479429 0.83 MEN1 (0.61) MEN1KMT2AHPGDHDAC6HDAC1
SCHEMBL30034675 0.83 HDAC1 (0.73) MEN1KMT2AHPGDHDAC6HDAC1
SCHEMBL16178940 0.83 HDAC1 (0.52) MEN1KMT2AHDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTIA N.V. (BE) 2006-04-20 US disclosed
EP-1492571-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-05 EP disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
CN-1100057-C New chromene compounds, process for their preparation and pharmaceutical compositions containing them SEUVERE LAB (FR) 2003-01-29 CN disclosed
US-6365605-B1 ADMINISTERING D.SUB.3 RECEPTOR LIGAND FOR THERAPY OF CONDITIONS SELECTED FROM DEPRESSION, SCHIZOPHRENIA, PSYCHOSES, PARKINSONS'S DISEASE, MEMORY DISORDERS, AND DISORDERS ASSOCIATED WITH DRUG ABUSE LES LABORATOIRES SERVIER (FR) 2002-04-02 US disclosed
US-6326377-B1 PSYCHOLOGICAL DISORDERS THERAPY ADIR ET COMPAGNIE (FR) 2001-12-04 US disclosed
EP-0887350-B1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
US-6090837-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 2000-07-18 US disclosed
EP-0887350-A1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-12-30 EP 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 (2 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MEN1 1882/4885KMT2A 4446/4885HPGD 249/4885
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands GRM3, GRM1, GRM2 MEN1 2520/4885KMT2A 2490/4885HPGD 1640/4885

“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.