SCHEMBL13458077

SCHEMBL13458077

CC(=O)Oc1ccc(-c2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
CYP2C9 P11712 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
TSHR P16473 1/20 0.56
PDE4A P27815 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRK1 P41145 1/20 0.56
STAT6 P42226 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C19 P33261 1/20 0.54
ELANE P08246 1/20 0.53

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
SCHEMBL6590103 0.98 LMNA (0.57) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL2959744 0.83 ELANE (0.57) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL29177459 0.82 CYP1A2 (0.51) CYP2C9CYP1A2CYP2D6CYP19A1CYP2C19
SCHEMBL4986100 0.82 ELANE (0.56) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL6842392 0.82 ELANE (0.56) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL4688782 0.81 MAPT (0.52) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL6832448 0.80 CYP2C9 (0.50) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL18573395 0.79 MAPT (0.60) CYP2C9KDM4ECYP1A2CYP2D6CYP19A1
SCHEMBL27916227 0.79 KDM4E (0.50) LMNACYP2C9KDM4EABCB11ESR1
SCHEMBL29399270 0.79 HSD17B10 (0.71) LMNACYP2C9CYP1A2CYP2C19ELANE

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
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 EP disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 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-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 LMNA 920/4885CYP2C9 342/4885KDM4E 4138/4885

“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.