SCHEMBL188175

SCHEMBL188175

O=C(O)c1cccnc1CS

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.58
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.50
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DHODH Q02127 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL11284703 0.87 NAPRT (0.56) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL5073420 0.83 SMN1; SMN2 (0.43) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL5252687 0.82 KDM4E (0.59) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL3880000 0.82 KDM4E (0.59) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL123202 0.81 KDM4E (0.57) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL3931891 0.81 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL242926 0.81 SMN1; SMN2 (0.58) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL2782918 0.81 KDM4E (0.62) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL14515519 0.81 KDM4E (0.57) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL2300950 0.81 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090117032-A1 Imaging Agents for Early Detection and Monitoring of Cardiovascular Plaque THE GENERAL HOSPITAL CORPORATION (US) 2009-05-07 US claimed
EP-1011738-A1 IMAGING AGENTS FOR EARLY DETECTION OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 2000-06-28 EP claimed
WO-1999012579-A1 IMAGING AGENTS FOR EARLY DETECTION AND MONITORING OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 1999-03-18 WO claimed
US-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-11-04 US disclosed
EP-3231804-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-03-03 EP disclosed
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders THE GENERAL HOSPITAL CORPORATION (US) 2020-12-08 US disclosed
US-20190261858-A1 IMAGING METHOD FOR ACUTE LYMPHOBLASTIC LEUKEMIA USING AN IMAGING AGENT AND METHOD OF PRODUCING AN IMAGING AGENT SATZ STANLEY (US) 2019-08-29 US disclosed
US-10300154-B2 Anticoagulant derivatives for cardiovascular imaging ELMALEH DAVID R (US) 2019-05-28 US disclosed
EP-3231804-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS The General Hospital Corporation (US) 2017-10-18 EP disclosed
US-20170290931-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING ELMALEH DAVID R (US) 2017-10-12 US disclosed
EP-2268647-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2017-01-25 EP disclosed
WO-1998048849-A1 RADIONUCLIDE ASSOCIATED WITH NUCLEOTIDE POLYPHOSPHATE AS TUMOR IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1998-11-05 WO disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
EP-0869820-A1 CARDIOVASCULAR AND THROMBUS IMAGING AGENTS, METHODS AND KITS THE GENERAL HOSPITAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024146-A9 CARDIOVASCULAR AND THROMBUS IMAGING AGENTS, METHODS AND KITS 1997-10-16 WO disclosed
WO-1997024146-A1 CARDIOVASCULAR AND THROMBUS IMAGING AGENTS, METHODS AND KITS THE GENERAL HOSPITAL CORPORATION (US) 1997-07-10 WO disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 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-20210338849-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS APP, PSEN1, PSEN2 NAPRT 862/4885KDM4E 3295/4885TDP1 1128/4885
US-10300154-B2 Anticoagulant derivatives for cardiovascular imaging F3, TFPI, SERPINC1 NAPRT 2290/4885KDM4E 2306/4885TDP1 1442/4885
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders APP, PSEN1, PSEN2 NAPRT 862/4885KDM4E 3295/4885TDP1 1128/4885
US-20170290931-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING F3, TFPI, SERPINC1 NAPRT 2290/4885KDM4E 2306/4885TDP1 1442/4885
US-20190261858-A1 IMAGING METHOD FOR ACUTE LYMPHOBLASTIC LEUKEMIA USING AN IMAGING AGENT AND METHOD OF PRODUCING AN IMAGING AGENT MCL1, FLI1, BCL3 NAPRT 1911/4885KDM4E 2860/4885TDP1 1630/4885

“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.