SCHEMBL13458064

SCHEMBL13458064

COc1ccc(-c2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
KDR P35968 1/20 0.56
TGFBR1 P36897 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL29496947 0.98 CYP19A1 (0.64) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL913393 0.98 CYP19A1 (0.64) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31400263 0.91 NPC1 (0.56) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21988541 0.91 NPC1 (0.56) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28428427 0.88 ABL1 (0.57) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12393770 0.86 KDR (0.58) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5572769 0.85 CYP1A2 (0.55) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7454751 0.84 NPC1 (0.57) NPC1RAB9AL3MBTL1HSP90AA1PKM
SCHEMBL22142572 0.84 TGFBR1 (0.59) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31260432 0.84 NPC1 (0.57) NPC1RAB9AL3MBTL1HSP90AA1PKM

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 CYP19A1 333/4885CYP1A2 153/4885CYP2D6 197/4885

“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.