SCHEMBL5202240

SCHEMBL5202240

COC(=O)c1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)no2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 4/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MCHR1 Q99705 1/20 0.53
S1PR1 P21453 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HAVCR2 Q8TDQ0 4/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL5204182 0.90 MCHR1 (0.62) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5207215 0.88 IP6K1 (0.57) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3674243 0.86 MAPT (0.69) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13427330 0.84 NPC1 (0.73) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL20968279 0.80 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13417180 0.79 NPC1 (0.75) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL19131023 0.79 NPC1 (0.70) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL30462930 0.79 CYP19A1 (0.60) ALDH1A1
SCHEMBL30350690 0.79 CYP19A1 (0.60) ALDH1A1
SCHEMBL19510990 0.79 CYP19A1 (0.60) ALDH1A1

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-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG MAPT 4855/4885NPC1 828/4885RAB9A 1448/4885

“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.