SCHEMBL1800974

SCHEMBL1800974

COC(=O)c1ccc(Br)cc1NC(=O)COCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
KDM4E B2RXH2 6/20 0.57
HSD17B10 Q99714 5/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 5/20 0.52
TSHR P16473 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
MAPK10 P53779 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 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
SCHEMBL1796641 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL1801205 0.84 KDM4E (0.60) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL24373505 0.82 KDM4E (0.54) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL29895856 0.78 HPGD (0.58) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL25556234 0.78 HPGD (0.58) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL24578782 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL29476211 0.77 ABCG2 (0.56) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL3990612 0.77 ABCG2 (0.56) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL1798658 0.77 SERPINE1 (0.62) ALDH1A1KDM4EHSD17B10MAPTCYP3A4
SCHEMBL31422871 0.76 KDM4E (0.52) ALDH1A1KDM4EHSD17B10MAPTHPGD

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 800/4885KDM4E 4309/4885HSD17B10 1614/4885

“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.