SCHEMBL1961069

SCHEMBL1961069

CCOC(=O)c1ccc(OCCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 3/20 0.57
SCN1A P35498 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MAPT P10636 4/20 0.56
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TBXAS1 P24557 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL9794827 0.92 L3MBTL1 (0.61) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL1963772 0.91 TDP1 (0.60) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL11546943 0.90 L3MBTL1 (0.59) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL7042805 0.90 L3MBTL1 (0.59) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL8942511 0.90 L3MBTL1 (0.59) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL6701399 0.90 TDP1 (0.74) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL9450233 0.86 KCNH2 (0.62) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL10408395 0.86 KCNH2 (0.62) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL10409033 0.86 KCNH2 (0.62) TDP1L3MBTL1LMNASCN1ASCN2A
SCHEMBL950916 0.86 L3MBTL1 (0.66) TDP1L3MBTL1LMNASCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
EP-3418277-B1 SUBSTITUTED AMINO SIX-MEMBERED NITRIC HETEROCYCLIC RING COMPOUND AND PREPARATION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-10-14 EP disclosed
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
US-8741513-B2 Method for preparing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2014-06-03 US disclosed
EP-2513028-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM Corporation (JP) 2012-10-24 EP disclosed
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
CN-102639480-A Method for producing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORP 2012-08-15 CN disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
EP-0107618-B1 N-SUBSTITUTED-2-(1-IMIDAZOLYL)-INDOLES CIBA-GEIGY AG (CH) 1986-07-16 EP disclosed
US-4539410-A THROMBOXANE SYNEHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-09-03 US disclosed
US-4511573-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1985-04-16 US disclosed
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed
US-4461905-A THROMBOXANE SYNTHETASE INHIBITOR INTERMEDIATE ONO PHARMACEUTICAL CO., LTD. (JP) 1984-07-24 US disclosed
EP-0107618-A1 N-substituted-2-(1-imidazolyl)-indoles CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed
US-4436746-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 US 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 (3 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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS TDP1 3153/4885L3MBTL1 4760/4885LMNA 1332/4885
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof NOS2, NOS1, NOS3 TDP1 2470/4885L3MBTL1 4825/4885LMNA 4023/4885
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, INA, NHERF1 TDP1 4222/4885L3MBTL1 3699/4885LMNA 1658/4885

“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.