SCHEMBL5207218

SCHEMBL5207218

O=C(O)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.60
NR1H4 Q96RI1 4/20 0.59
S1PR1 P21453 2/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
SRD5A2 P31213 1/20 0.55
IP6K1 Q92551 1/20 0.54
IP6K3 Q96PC2 1/20 0.54
IP6K2 Q9UHH9 1/20 0.54
ACACB O00763 5/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
MCL1 Q07820 1/20 0.52
S1PR3 Q99500 1/20 0.52

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
SCHEMBL12171136 1.00 MCHR1 (0.60) MCHR1NR1H4S1PR1MAOAMAOB
SCHEMBL5207215 0.89 IP6K1 (0.57) MCHR1NR1H4S1PR1MAOAIP6K1
SCHEMBL20968252 0.89 TPH1 (0.54) MCHR1NR1H4S1PR1MAOAMAOB
SCHEMBL3675564 0.88 NR1H4 (0.72) NR1H4S1PR1
SCHEMBL20968213 0.88 NR1H4 (0.73) MCHR1NR1H4S1PR1MAOAMAOB
SCHEMBL12171112 0.88 NR1H4 (0.72) NR1H4S1PR1
SCHEMBL5204182 0.87 MCHR1 (0.62) MCHR1NR1H4S1PR1MAOAMAOB
SCHEMBL3057263 0.85 NR1H4 (0.61) MCHR1NR1H4S1PR1MAOAMAOB
SCHEMBL1430356 0.84 NR1H4 (0.73) NR1H4S1PR1
SCHEMBL20968234 0.82 NR1H4 (0.61) MCHR1NR1H4S1PR1MAOAMAOB

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 MCHR1 223/4885NR1H4 26/4885S1PR1 1456/4885

“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.