SCHEMBL5206342

SCHEMBL5206342

COC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 7/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPK1 P28482 2/20 0.57
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
BAP1 Q92560 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL5204519 0.87 RAB9A (0.71) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL5206189 0.87 MYC (0.57) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL12181970 0.84 POLB (0.55) HPGDMAPTMAPK1LMNAPOLB
SCHEMBL5208862 0.82 MAPT (0.51) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL8900709 0.80 MAPT (0.63) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL12171483 0.79 MAPT (0.67) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL29708208 0.76 VCAM1 (0.59) HPGDMAPTLMNAPOLBMEN1
SCHEMBL4726931 0.76 VCAM1 (0.59) HPGDMAPTLMNAPOLBMEN1
SCHEMBL30863327 0.76 VCAM1 (0.66) HPGDMAPTLMNAPOLBMEN1
SCHEMBL17197998 0.75 VCAM1 (0.61) HPGDMAPTLMNAPOLBMEN1

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 RAB9A 1448/4885NPC1 828/4885HPGD 2112/4885

“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.