SCHEMBL4134095

SCHEMBL4134095

O=C(O)COc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
MAPT P10636 1/20 0.59
AKR1B1 P15121 6/20 0.59
AKR1B10 O60218 1/20 0.59
TSHR P16473 2/20 0.58
PTGDR2 Q9Y5Y4 7/20 0.56
KDM4E B2RXH2 1/20 0.55
PTGDR Q13258 4/20 0.54
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGER2 P43116 1/20 0.51

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
SCHEMBL26669028 0.87 TDP1 (0.49) TDP1MAPTAKR1B1AKR1B10TSHR
SCHEMBL4143335 0.86 TDP1 (0.70) TDP1MAPTTSHRPTGDR2KDM4E
SCHEMBL12100682 0.84 TDP1 (0.46) TDP1MAPTAKR1B1AKR1B10TSHR
SCHEMBL20355260 0.84 TDP1 (0.60) TDP1MAPTAKR1B1AKR1B10TSHR
SCHEMBL5389347 0.84 TDP1 (0.77) TDP1MAPTTSHRPTGDR2PTGDR
SCHEMBL4675125 0.83 POLB (0.52) TDP1MAPTAKR1B1AKR1B10TSHR
SCHEMBL1546386 0.83 TSHR (0.52) MAPTTSHRKDM4ECASP1SMN1; SMN2
SCHEMBL64347 0.82 TDP1 (0.74) TDP1MAPTTSHRPTGDR2PTGDR
SCHEMBL9187673 0.81 TSHR (0.50) MAPTTSHRKDM4ECASP1SMN1; SMN2
SCHEMBL13951660 0.81 TSHR (0.50) MAPTTSHRPTGDR2CASP1SMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380751-B Indanamine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2025-03-07 CN disclosed
CN-114380751-A Indane amine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2022-04-22 CN disclosed
CN-114315736-A Indane amine derivatives, preparation method and application thereof 甫康(上海)健康科技有限责任公司 2022-04-12 CN disclosed
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (5 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A TDP1 494/4885MAPT 1405/4885AKR1B1 4015/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C TDP1 909/4885MAPT 643/4885AKR1B1 4330/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 TDP1 2483/4885MAPT 3629/4885AKR1B1 1447/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C TDP1 909/4885MAPT 643/4885AKR1B1 4330/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 TDP1 503/4885MAPT 1354/4885AKR1B1 3899/4885

“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.