SCHEMBL5203555

SCHEMBL5203555

O=Cc1ccc(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
ACHE P22303 1/20 0.50
EGFR P00533 1/20 0.49
AURKA O14965 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
GUSB P08236 1/20 0.47
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL4373563 0.81 ALDH1A1 (0.67) MAPTALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL5204029 0.80 NPC1 (0.64) L3MBTL1NPC1RAB9ACASP3SENP7
SCHEMBL11434597 0.79 RAB9A (0.54) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL11550310 0.77 NPC1 (0.65) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL29215426 0.77 NPC1 (0.61) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL19219013 0.77 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5202283 0.77 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ACASP3SENP7
SCHEMBL6448634 0.76 L3MBTL1 (0.66) L3MBTL1NPC1RAB9ACASP3SENP7
SCHEMBL6448409 0.76 L3MBTL1 (0.66) L3MBTL1NPC1RAB9ACASP3SENP7
SCHEMBL4403617 0.74 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ACASP3SENP7

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 L3MBTL1 1703/4885NPC1 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.