SCHEMBL5207215

SCHEMBL5207215

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.57
IP6K3 Q96PC2 2/20 0.57
IP6K2 Q9UHH9 2/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR1H4 Q96RI1 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAOA P21397 1/20 0.51
BLVRB P30043 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MCHR1 Q99705 1/20 0.51
S1PR1 P21453 2/20 0.50

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
SCHEMBL5207218 0.89 MCHR1 (0.60) IP6K1IP6K3IP6K2NR1H4MAOA
SCHEMBL12171136 0.89 MCHR1 (0.60) IP6K1IP6K3IP6K2NR1H4MAOA
SCHEMBL5202240 0.88 MAPT (0.63) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL13417180 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL3675564 0.83 NR1H4 (0.72) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL12171112 0.83 NR1H4 (0.72) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL12171366 0.82 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL12171782 0.82 NPC1 (0.70) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL59247 0.81 RAB9A (0.72) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL60427 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53NFKB1

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 IP6K1 1364/4885IP6K3 1983/4885IP6K2 1557/4885

“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.