SCHEMBL422302

SCHEMBL422302

O=C(C=Cc1cccc(-c2cccnc2)c1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
TRPA1 O75762 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TRPM2 O94759 3/20 0.48
SERPINE1 P05121 2/20 0.48
NAMPT P43490 4/20 0.48
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.46
LTB4R Q15722 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 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
SCHEMBL422301 1.00 EGFR (0.51) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL419635 0.99 EGFR (0.50) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL419636 0.90 SERPINE1 (0.49) EGFRNPC1RAB9AMEN1CYP1A2
SCHEMBL419634 0.90 SERPINE1 (0.49) EGFRNPC1RAB9AMEN1CYP1A2
SCHEMBL417435 0.89 ALDH1A1 (0.47) EGFRNPC1RAB9AMEN1CYP1A2
SCHEMBL417436 0.89 ALDH1A1 (0.47) EGFRNPC1RAB9AMEN1CYP1A2
SCHEMBL417074 0.88 EGFR (0.62) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL417073 0.88 EGFR (0.62) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL8059593 0.83 MEN1 (0.67) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL8059594 0.83 MEN1 (0.67) EGFRTRPA1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 EGFR 3998/4885TRPA1 4798/4885NPC1 2092/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 EGFR 4283/4885TRPA1 4141/4885NPC1 893/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 EGFR 4283/4885TRPA1 4141/4885NPC1 893/4885
US-10092537-B2 Use for PAI-1 inhibitor SERPINE1, SERPINC1, SERPINB1 EGFR 4148/4885TRPA1 4776/4885NPC1 1925/4885

“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.