SCHEMBL12365158

SCHEMBL12365158

O=C(O)c1ccc2c(c1)C(c1ccncc1)=CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.49
▸ CYP11B2 P19099 4/20 0.49
▸ CYP17A1 P05093 2/20 0.49
▸ CYP11B1 P15538 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ SRD5A2 P31213 4/20 0.40
▸ SRD5A1 P18405 3/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ AR P10275 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ GCGR P47871 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL12365403 0.85 AR (0.49) CYP3A4CYP11B2CYP17A1ALDH1A1SRD5A2
SCHEMBL12365082 0.84 ESR2 (0.46) CYP3A4CYP11B2CYP17A1ALDH1A1SRD5A2
SCHEMBL12365128 0.84 CYP11B2 (0.45) CYP3A4CYP11B2CYP17A1CYP11B1MAPK14
SCHEMBL12365051 0.84 KMO (0.51) CYP11B2CYP17A1CYP11B1ALDH1A1SRD5A2
SCHEMBL12364987 0.83 RARB (0.48) ALDH1A1SRD5A2SRD5A1IP6K1IP6K3
SCHEMBL12364994 0.83 SRD5A2 (0.49) ALDH1A1SRD5A2SRD5A1TDP2
SCHEMBL12365038 0.83 MAPT (0.41) ALDH1A1SRD5A2SRD5A1TDP2MAPT
SCHEMBL12365813 0.83 KDM4C (0.37) CYP3A4CYP11B2CYP17A1ALDH1A1SRD5A2
SCHEMBL12365885 0.83 SRD5A2 (0.38) CYP3A4CYP11B2CYP17A1CYP11B1ALDH1A1
SCHEMBL12390197 0.83 RARA (0.49) SRD5A2SRD5A1

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 3 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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 CYP3A4 1108/4885CYP11B2 707/4885CYP17A1 1053/4885

“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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