SCHEMBL12365885

SCHEMBL12365885

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.38
▸ SRD5A1 P18405 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ TET3 O43151 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ BBOX1 O75936 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ TET2 Q6N021 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ KDM7A Q6ZMT4 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ TET1 Q8NFU7 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37

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
SCHEMBL12365883 0.86 KDM4E (0.37) ALDH1A1KDM4EKDM6BMAPTKDM5C
SCHEMBL12365813 0.85 KDM4C (0.37) SRD5A2SRD5A1ALDH1A1KDM4EKDM6B
SCHEMBL12366919 0.84 HTR2B (0.40) CCNCCDK8
SCHEMBL12365158 0.83 CYP3A4 (0.49) SRD5A2SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL12364994 0.81 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1MAP4K4TDP2
SCHEMBL12365005 0.80 SRD5A2 (0.46) SRD5A2SRD5A1ALDH1A1KMOMAP4K4
SCHEMBL12365417 0.79 SRD5A2 (0.44) SRD5A2SRD5A1ALDH1A1KDM4EKDM6B
SCHEMBL12365460 0.78 SRD5A2 (0.41) SRD5A2SRD5A1ALDH1A1KMOCYP3A4
SCHEMBL12365921 0.78 SRD5A2 (0.42) SRD5A2SRD5A1ALDH1A1POLB
SCHEMBL12365800 0.78 HCAR2 (0.43) SRD5A2SRD5A1ALDH1A1MAPTKDM4C

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 SRD5A2 412/4885SRD5A1 247/4885ALDH1A1 934/4885

“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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