SCHEMBL688911

SCHEMBL688911

N#Cc1cccc(OCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
TBXAS1 P24557 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
ENPP2 Q13822 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL689001 0.91 TBXAS1 (0.52) ALDH1A1RECQLTBXAS1SMN1; SMN2GSK3B
SCHEMBL29940613 0.90 TBXAS1 (0.49) ALDH1A1RECQLTBXAS1SMN1; SMN2
SCHEMBL3105876 0.86 TBXAS1 (0.54) TBXAS1SMN1; SMN2HRH1CCR3CYP11B1
SCHEMBL7388461 0.85 TBXAS1 (0.56) TBXAS1HRH1CCR3
SCHEMBL20552139 0.84 TBXAS1 (0.55) TBXAS1SMN1; SMN2HRH1CCR3
SCHEMBL13684905 0.84 TBXAS1 (0.55) TBXAS1SMN1; SMN2GSK3BCLK4HRH1
SCHEMBL687723 0.82 TBXAS1 (0.54) TBXAS1SMN1; SMN2HRH1CCR3
SCHEMBL688706 0.82 TBXAS1 (0.54) TBXAS1SMN1; SMN2HRH1CCR3CYP11B1
SCHEMBL74120 0.82 TBXAS1 (0.54) TBXAS1SMN1; SMN2GSK3BHRH1CCR3
SCHEMBL2536496 0.82 KMT2A (0.54) TBXAS1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242715-A1 METHOD FOR RAPIDLY PROVIDING PYRIDAZINES FROM TETRAZINES AND CIS-DIENOPHILES TETRAKIT TECHNOLOGIES APS (DK) 2025-11-27 WO disclosed
EP-4653425-A1 METHOD FOR RAPIDLY PROVIDING PYRIDAZINES FROM TETRAZINES AND CIS-DIENOPHILES Tetrakit Technologies ApS (DK) 2025-11-26 EP disclosed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
WO-2010119877-A1 PROCESS FOR PRODUCTION OF AMIDINE DERIVATIVE 味の素株式会社 (JP) 2010-10-21 WO disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 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 (4 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI ALDH1A1 3553/4885RECQL 2721/4885TBXAS1 161/4885
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A ALDH1A1 763/4885RECQL 2320/4885TBXAS1 903/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A ALDH1A1 724/4885RECQL 2293/4885TBXAS1 933/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885RECQL 4359/4885TBXAS1 383/4885

“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.