SCHEMBL418777

SCHEMBL418777

N#Cc1cc(Cl)ccc1NC(=O)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.62
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ABL1 P00519 1/20 0.51
TSHR P16473 1/20 0.51
RIN1 Q13671 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ATM Q13315 1/20 0.50
KCNMA1 Q12791 1/20 0.49
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48

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
SCHEMBL18127636 0.89 MAPT (0.56) GRIK1MEN1KMT2AMAPTTDP1
SCHEMBL13102688 0.85 KCNMA1 (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9454022 0.80 MAPT (0.61) GRIK1MEN1KMT2AMAPTTDP1
SCHEMBL28581272 0.80 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14075271 0.76 GRIK1 (1.00) GRIK1MEN1KMT2AMAPTTDP1
SCHEMBL418984 0.76 GRIK1 (0.64) GRIK1MEN1KMT2AMAPTTDP1
SCHEMBL28584082 0.76 WDR5 (0.56) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL15838803 0.75 SIRT2 (0.73) MAPTALDH1A1NPC1RAB9A
SCHEMBL3976985 0.75 MAPT (0.51) GRIK1MEN1KMT2AMAPTALDH1A1
SCHEMBL2084709 0.75 GRIK1 (0.46) GRIK1MEN1KMT2AMAPTTDP1

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
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 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
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 (2 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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 GRIK1 3080/4885MEN1 844/4885KMT2A 4433/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GRIK1 3080/4885MEN1 844/4885KMT2A 4433/4885

“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.