SCHEMBL4637537

SCHEMBL4637537

Nc1cc(Cl)ccc1Sc1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 3/20 0.71
TDP1 Q9NUW8 1/20 0.71
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE7A Q13946 3/20 0.49
HPGD P15428 1/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RECQL P46063 1/20 0.45
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44

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
SCHEMBL4439475 0.87 KDM4E (0.57) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL17080193 0.84 KDM4E (0.75) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL29441695 0.84 KDM4E (0.75) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL4436373 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1MEN1MAPT
SCHEMBL3381158 0.83 KDM4E (1.00) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL3409694 0.83 ABL1 (0.60) ALDH1A1KDM4ETDP1SLC6A2SLC6A4
SCHEMBL2032649 0.82 KDM4E (0.71) ALDH1A1KDM4ETDP1MEN1MAPT
Hydrochloric Acid SCHEMBL15227699 0.82 ABL1 (0.58) ALDH1A1KDM4ETDP1SLC6A2SLC6A4
SCHEMBL3998999 0.82 KDM4E (0.71) ALDH1A1KDM4ETDP1MEN1MAPT
Bromide SCHEMBL10675654 0.82 KDM4E (0.71) ALDH1A1KDM4ETDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937614-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO disclosed
US-6103715-A COMPOUNDS THAT BIND TO THE DOPAMINE D4 RECEPTOR AND THEIR USE AS ANXIOLYTIC AGENTS, TREATMENT FOR SCHIZOPHRENIA, AND DRUG SCREENING; SIDE EFFECT REDUCTIOON ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-15 US disclosed
EP-0797577-B1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMA (CA) 2000-07-26 EP disclosed
US-5849734-A Muscarinic receptor ligands ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-12-15 US disclosed
US-5798350-A TRICYCLIC DIBENZ(B,F)OXEPINES AND DIBENZO(B,F)THIEPINES FOR TREATING SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1998-08-25 US disclosed
US-5703072-A TREATMENT OF SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS (CA) 1997-12-30 US disclosed
US-5674877-A TREATMENT OF PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-10-07 US disclosed
EP-0797577-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY Allelix Biopharmaceuticals Inc. (CA) 1997-10-01 EP disclosed
EP-0736024-A1 N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS Allelix Biopharmaceuticals Inc. (CA) 1996-10-09 EP disclosed
US-5561127-A TREATING ANXIETY, SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1996-10-01 US disclosed
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US disclosed
WO-1996019479-A1 MUSCARINIC RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-27 WO disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed
WO-1995017400-A1 N-HETEROBICYCLYL-PIPERAZINYL OR-PIPERADINYL TRICYCLIC DERIVATIVES USEFUL AS DOPAMINE RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-06-29 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 ALDH1A1 1576/4885KDM4E 1976/4885TDP1 4737/4885

“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.