SCHEMBL592109

SCHEMBL592109

Cc1cc(=O)[nH]c2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
GAA P10253 5/20 1.00
GLA P06280 4/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 3/20 1.00
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TNKS2 Q9H2K2 9/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 1/20 0.58
TNKS O95271 1/20 0.50
LMNA P02545 2/20 0.49
AR P10275 1/20 0.48
PKM P14618 1/20 0.48
GLI1 P08151 1/20 0.47
GLI2 P10070 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CA12 O43570 1/20 0.47
CYP2C9 P11712 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL29532206 1.00 KDM4E (1.00) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL14978967 0.87 KDM4E (0.77) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL11097088 0.85 GAA (0.73) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL22461494 0.82 KDM4E (0.69) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL12668286 0.80 ALDH1A1 (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL2795205 0.80 KDM4E (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8581212 0.79 KDM4E (0.66) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL1378769 0.77 TNKS2 (0.75) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL13264599 0.77 KDM4E (0.62) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8064223 0.77 KDM4E (0.62) KDM4EGAAGLAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384154-A Pyrroloquinolinone compound, synthesis method and application thereof 广州医科大学 2024-01-12 CN disclosed
US-11150358-B2 Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry RIKEN (JP) 2021-10-19 US disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20200333474-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY RIKEN (JP) 2020-10-22 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
EP-3686632-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY Riken (JP) 2020-07-29 EP disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-7227158-B1 Stick-on self-indicating instant radiation dosimeter JP LABS, INC. (US) 2007-06-05 US disclosed
WO-2006112464-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 WO disclosed
US-20060145091-A1 Self indicating radiation alert dosimeter JP LABORATORIES INC. 2006-07-06 US disclosed
US-4427680-A ANTHISTAMINES BOEHRINGER MANNHEIM GMBH (DE) 1984-01-24 US disclosed
US-4330549-A Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action BOEHRINGER MANNHEIM GMBH (DE) 1982-05-18 US disclosed
EP-0013894-B1 ARYLETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1982-02-03 EP disclosed
EP-0006506-B1 CARBOSTYRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-09-16 EP disclosed
US-4234585-A ANTIALLERGENS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1980-11-18 US disclosed
EP-0013894-A1 Arylethers, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1980-08-06 EP disclosed
EP-0006506-A1 Carbostyrile derivatives, processes for their preparation and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1980-01-09 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 (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-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GAA 3237/4885GLA 4288/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GAA 3237/4885GLA 4288/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GAA 3237/4885GLA 4288/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GAA 3237/4885GLA 4288/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GAA 3237/4885GLA 4288/4885

“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.