SCHEMBL2642291

SCHEMBL2642291

NC(=O)c1ccc(C[O])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.59
PLA2G2A P14555 1/20 0.59
PARP10 Q53GL7 11/20 0.55
PARP1 P09874 3/20 0.50
PARP4 Q9UKK3 2/20 0.50
TSHR P16473 2/20 0.50
PARP15 Q460N3 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL27896185 0.83 PLA2G10 (0.57) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL7134591 0.82 PLA2G10 (0.83) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL8867699 0.81 PLA2G10 (0.55) PLA2G10PLA2G2APARP10PARP1PARP4
Terephthalamide SCHEMBL23774 0.81 PARP1 (0.71) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL509167 0.80 LOXL2 (0.60) PLA2G10PLA2G2APARP10PARP1PARP4
Terephthalamide SCHEMBL3444098 0.80 LOXL2 (0.60) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL873232 0.80 PRSS1 (0.60) PLA2G10PLA2G2APARP10PARP1PARP4
Terephthalamide SCHEMBL8931235 0.78 PARP1 (0.60) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL4134122 0.78 CA2 (0.64) PLA2G10PLA2G2APARP10PARP1PARP4
SCHEMBL1268001 0.78 PLA2G10 (0.57) PLA2G10PLA2G2APARP10PARP1PARP4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN claimed
CN-102690269-A Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2012-09-26 CN claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
CN-109715632-A Macrocyclic indole derivatives 拜尔公开股份有限公司 2019-05-03 CN disclosed
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN disclosed
CN-101993416-B Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2013-09-11 CN disclosed
CN-102690269-A Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2012-09-26 CN disclosed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN disclosed
US-7199140-B2 Vinyl phenyl derivatives as GLK activators ASTRAZENECA AB (SE) 2007-04-03 US disclosed
EP-1406620-B1 VINYL PHENYL DERIVATIVES AS GLK ACTIVATORS ASTRAZENECA AB (SE) 2006-11-02 EP disclosed
US-20050054715-A1 Vinyl phenyl derivatives as glk activators ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-5049665-A Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-17 US disclosed
US-4918070-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-04-17 US disclosed
EP-0280240-A2 Cephalosporin derivatives, process for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1988-08-31 EP disclosed
US-4701452-A STIMULANTS; ANTIBIOTICS HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 US disclosed
EP-0152860-A2 Use of cephalosporin compounds for the manufacture of a medicament for the modulation of the immunologic system HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-28 EP disclosed
US-4454129-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-12 US disclosed
EP-0064256-A2 Cephalosporin derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-10 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 (1 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-20050054715-A1 Vinyl phenyl derivatives as glk activators GCK, GCKR, GK PLA2G10 2030/4885PLA2G2A 1829/4885PARP10 2666/4885

“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.