SCHEMBL5207404

SCHEMBL5207404

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CHUK O15111 1/20 0.50
TXNRD1 Q16881 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
EIF4E P06730 1/20 0.46
POLB P06746 1/20 0.46
S1PR1 P21453 3/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HDAC4 P56524 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
SCHEMBL5206189 0.88 MYC (0.57) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL5204519 0.85 RAB9A (0.71) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL30116615 0.84 CYP2C8 (0.55) EIF4ELMNATTR
SCHEMBL5207567 0.83 KDM4E (0.47) RAB9ANPC1HPGDMAPTEIF4E
SCHEMBL5207564 0.82 CHUK (0.54) CHUKTXNRD1NOX4RARARARB
SCHEMBL5208706 0.78 LMNA (0.65) CHUKTXNRD1NOX4RARARARB
SCHEMBL5205641 0.78 LMNA (0.65) CHUKTXNRD1NOX4RARARARB
SCHEMBL4875678 0.76 NPC1 (0.63) RAB9ANPC1CHUKTXNRD1NOX4
SCHEMBL11487469 0.75 RAB9A (0.77) RAB9ANPC1HPGDMAPTNFKB1
SCHEMBL388748 0.74 CHUK (0.55) CHUKTXNRD1NOX4RARBS1PR1

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.