SCHEMBL13370533

SCHEMBL13370533

Nc1noc2ccc(B(O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
IDO1 P14902 5/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PLG P00747 1/20 0.35
F12 P00748 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PLK4 O00444 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL30828709 0.76 IDO1 (0.50) KDM4EALDH1A1IDO1CA1CA2
SCHEMBL481909 0.76 IDO1 (0.50) KDM4EALDH1A1IDO1CA1CA2
SCHEMBL8358457 0.75 NPC1 (0.45) KDM4EALDH1A1IDO1ESR1ESR2
SCHEMBL7893688 0.75 ENPP2 (0.39) ENPP2ESR1ESR2KDR
SCHEMBL29955343 0.75 ENPP2 (0.39) ENPP2ESR1ESR2KDR
SCHEMBL18683348 0.72 IDO1 (0.50) IDO1ESR1ESR2PLK4ROCK2
SCHEMBL1759452 0.72 MAPT (0.50) ALDH1A1MAP4K4PDGFRBPIM1FGFR1
SCHEMBL1943238 0.72 IDO1 (0.50) ALDH1A1IDO1PIM1PDGFRA
SCHEMBL2441701 0.72 HTR3A (0.40) ALDH1A1IDO1ESR1ESR2KLKB1
SCHEMBL7214975 0.72 IDO1 (0.36) IDO1ESR1ESR2PLK4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147283-B1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY LTD (CN) 2022-08-17 EP disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
EP-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed
WO-2010051043-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 WO 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-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 ENPP2 1585/4885KDM4E 1233/4885ALDH1A1 2302/4885

“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.