SCHEMBL12365883

SCHEMBL12365883

COC(=O)c1ccc2c(c1)C(c1ccnc(Cl)c1)=CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ KDM3A Q9Y4C1 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ TRPA1 O75762 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34

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
SCHEMBL12365794 0.88 KDM4E (0.38) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL12365885 0.86 SRD5A2 (0.38) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL12365128 0.85 CYP11B2 (0.45) ROCK1ROCK2TRPA1MAPK14CYP3A4
SCHEMBL12364985 0.82 SLC6A3 (0.42) KDM4EL3MBTL1MAPK14ALDH1A1MEN1
SCHEMBL12364999 0.82 SLC6A3 (0.47) KDM4EL3MBTL1PTGS2MAPK14ALDH1A1
SCHEMBL12365408 0.81 ALOX15 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL12366919 0.81 HTR2B (0.40) —
SCHEMBL12365798 0.80 MKNK1 (0.40) MAPK14
SCHEMBL12365422 0.80 MAPT (0.46) KDM4EHTTMAPK14ALDH1A1MEN1
SCHEMBL12365920 0.80 ALOX15 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1455/4885KDM6B 2408/4885KDM5C 366/4885

“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.

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