SCHEMBL1801520

SCHEMBL1801520

O=C(CCCCC(=O)Nc1sc(Cl)cc1C(=O)O)Nc1sc(Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL23413604 0.91 ALDH1A1 (0.56) DAOSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3870328 0.81 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL23413063 0.79 MAPK8 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3347731 0.78 DAO (0.53) DAOSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL23412777 0.77 RXFP1 (0.59) SMN1; SMN2KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL13781567 0.77 HCAR2 (0.57) CYP1A2HDAC1HCAR2
SCHEMBL1798957 0.76 NPSR1 (0.66) KDM4EALDH1A1ALOX15MEN1KMT2A
SCHEMBL6031092 0.74 RXFP1 (0.59) SMN1; SMN2KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL23413599 0.73 DAO (0.47) DAOSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL21247360 0.73 MAPT (0.67) DAOSMN1; SMN2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 DAO 1635/4885SMN1; SMN2 1590/4885KDM4E 4309/4885

“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.