SCHEMBL5201903

SCHEMBL5201903

COC(=O)c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.63
NR1H3 Q13133 5/20 0.63
GRK6 P43250 1/20 0.60
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
DGAT1 O75907 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TNKS O95271 1/20 0.55
HPGDS O60760 2/20 0.55
RAF1 P04049 1/20 0.54
MAPK1 P28482 1/20 0.52
ADORA3 P0DMS8 2/20 0.50

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
SCHEMBL17279692 1.00 NR1H2 (0.63) NR1H2NR1H3GRK6NPC1LMNA
SCHEMBL17280065 0.90 NR1H2 (0.57) NR1H2NR1H3GRK6NPC1LMNA
SCHEMBL17280022 0.87 NR1H2 (0.57) NR1H2NR1H3GRK6NPC1LMNA
SCHEMBL17279698 0.84 NR1H2 (0.69) NR1H2NR1H3NPC1LMNARAB9A
SCHEMBL5209232 0.83 NR1H2 (0.73) NR1H2NR1H3NPC1LMNARAB9A
SCHEMBL16151160 0.83 GRK6 (0.53) GRK6NPC1LMNARAB9ADGAT1
SCHEMBL17280027 0.82 NR1H2 (0.54) NR1H2NR1H3GRK6NPC1LMNA
SCHEMBL17574086 0.81 NR1H2 (0.96) NR1H2NR1H3NPC1LMNARAB9A
SCHEMBL26109969 0.81 NR1H2 (0.96) NR1H2NR1H3NPC1LMNARAB9A
SCHEMBL17280023 0.81 NR1H2 (0.52) NR1H2NR1H3GRK6NPC1RAB9A

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 NR1H2 10/4885NR1H3 11/4885GRK6 453/4885

“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.