SCHEMBL13458065

SCHEMBL13458065

COc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
KDM4E B2RXH2 4/20 0.73
ATM Q13315 2/20 0.73
POLB P06746 2/20 0.73
RAB9A P51151 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
NPC1 O15118 5/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP19A1 P11511 2/20 0.70
SREBF2 Q12772 1/20 0.67
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
CDC25A P30304 1/20 0.63
CDC25B P30305 1/20 0.63
AR P10275 1/20 0.61
CYP1A1 P04798 1/20 0.61
CYP1B1 Q16678 1/20 0.61

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
SCHEMBL6693465 0.98 MAPT (0.75) MAPTKDM4EATMPOLBRAB9A
SCHEMBL1180215 0.92 MAPT (0.84) MAPTKDM4EATMPOLBRAB9A
SCHEMBL19196285 0.91 CYP19A1 (0.64) MAPTKDM4EATMPOLBRAB9A
SCHEMBL4279335 0.87 MAPT (0.74) MAPTKDM4EATMPOLBRAB9A
SCHEMBL11464717 0.87 SREBF2 (0.79) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL28534175 0.86 KDM4E (0.75) MAPTKDM4EATMPOLBRAB9A
SCHEMBL4279334 0.86 KDM4E (0.75) MAPTKDM4EATMPOLBRAB9A
Pyrrole SCHEMBL3654122 0.85 KDM4E (0.69) MAPTKDM4EATMPOLBRAB9A
SCHEMBL1181045 0.85 CYP19A1 (0.67) MAPTKDM4EATMPOLBRAB9A
SCHEMBL1180576 0.85 CYP19A1 (0.71) MAPTKDM4EATMPOLBRAB9A

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 MAPT 4593/4885KDM4E 4138/4885ATM 3450/4885

“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.