SCHEMBL1796641

SCHEMBL1796641

COC(=O)c1cc(Br)ccc1NC(=O)COCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 2/20 0.51
KDM4E B2RXH2 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPK10 P53779 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1800974 0.90 ALDH1A1 (0.57) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL16632075 0.86 ALDH1A1 (0.60) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL1015370 0.84 KDM4E (0.60) ALDH1A1GAATSHRKDM4EPOLB
SCHEMBL1800306 0.84 TSHR (0.51) ALDH1A1TSHRKDM4EPOLBKMT2A
SCHEMBL1795508 0.84 ALDH1A1 (0.55) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL16650538 0.84 ALDH1A1 (0.51) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL1795511 0.83 ALDH1A1 (0.54) ALDH1A1GAATSHRKDM4ETDP1
SCHEMBL1799563 0.82 KDM4E (0.52) ALDH1A1GAATSHRKDM4EPOLB
SCHEMBL15647271 0.82 ALDH1A1 (0.72) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL4604562 0.82 ALDH1A1 (0.60) ALDH1A1GAAKDM4ETDP1POLB

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 ALDH1A1 800/4885GAA 721/4885TSHR 2186/4885

“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.