SCHEMBL5207567

SCHEMBL5207567

O=C(O)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EIF4E P06730 2/20 0.45
TTR P02766 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP6 P55212 1/20 0.44
MYC P01106 1/20 0.43

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
SCHEMBL5206450 0.89 MAPT (0.45) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL5202688 0.87 MYC (0.58) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL30116615 0.84 CYP2C8 (0.55) EIF4ETTRLMNACASP6MYC
SCHEMBL5207404 0.83 RAB9A (0.55) POLBNPC1RAB9AEIF4ETTR
SCHEMBL5207718 0.81 KDM4E (0.51) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL5203215 0.80 NPC1 (0.68) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL5202505 0.78 ALDH1A1 (0.59) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL5204029 0.77 NPC1 (0.64) ALDH1A1POLBNPC1RAB9AABCG2
SCHEMBL5207083 0.76 NPC1 (0.59) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL26915334 0.74 NPC1 (0.52) KDM4EALDH1A1CYP1A2POLBCYP2C19

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 KDM4E 2371/4885ALDH1A1 700/4885CYP1A2 1532/4885

“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.