SCHEMBL418541

SCHEMBL418541

O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.67
GPBAR1 Q8TDU6 3/20 0.67
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL418122 0.99 CYSLTR1 (0.66) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL418121 0.91 SERPINE1 (0.63) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL418778 0.91 CYSLTR1 (0.68) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL420127 0.90 GPBAR1 (0.62) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL418478 0.90 GPBAR1 (0.61) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL30444017 0.81 CYSLTR1 (1.00) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL422355 0.81 CYSLTR1 (1.00) CYSLTR1GPBAR1KDM4EALDH1A1MEN1
SCHEMBL419380 0.81 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2SERPINE1
SCHEMBL418477 0.81 SERPINE1 (0.55) CYSLTR1GPBAR1CYSLTR2SERPINE1
Hydrochloric Acid SCHEMBL7006935 0.80 CYSLTR1 (0.97) CYSLTR1GPBAR1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
US-10092537-B2 Use for PAI-1 inhibitor RENASCIENCE CO., LTD. (JP) 2018-10-09 US disclosed
US-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2016-06-09 US disclosed
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 CN disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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 (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-20160158188-A1 NOVEL USE FOR PAI-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 CYSLTR1 1815/4885GPBAR1 4537/4885KDM4E 4253/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 CYSLTR1 856/4885GPBAR1 2224/4885KDM4E 4490/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 CYSLTR1 856/4885GPBAR1 2224/4885KDM4E 4490/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 CYSLTR1 1966/4885GPBAR1 4396/4885KDM4E 4348/4885

“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.