SCHEMBL5207564

SCHEMBL5207564

Nc1cc(C(=O)O)ccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.54
TXNRD1 Q16881 1/20 0.54
NOX4 Q9NPH5 1/20 0.54
RARA P10276 3/20 0.49
RARB P10826 3/20 0.49
RARG P13631 3/20 0.49
POLB P06746 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
MAP4K4 O95819 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 2/20 0.46
MAOA P21397 1/20 0.46
BLVRB P30043 1/20 0.46

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
SCHEMBL5208995 0.84 RARA (0.51) RARARARBRARGHDAC6LMNA
SCHEMBL5208706 0.82 LMNA (0.65) CHUKTXNRD1NOX4RARARARB
SCHEMBL5205641 0.82 LMNA (0.65) CHUKTXNRD1NOX4RARARARB
SCHEMBL5207718 0.82 KDM4E (0.51) POLBMAP4K4S1PR1
SCHEMBL5207404 0.82 RAB9A (0.55) CHUKTXNRD1NOX4RARARARB
SCHEMBL4875678 0.79 NPC1 (0.63) CHUKTXNRD1NOX4HDAC6LMNA
SCHEMBL388748 0.77 CHUK (0.55) CHUKTXNRD1NOX4RARBHDAC6
SCHEMBL29607058 0.77 NPC1 (0.63) CHUKTXNRD1NOX4HDAC6HDAC4
SCHEMBL60315 0.77 NPC1 (0.63) CHUKTXNRD1NOX4HDAC6HDAC4
SCHEMBL5206463 0.76 KDM4E (0.53) HDAC6LMNAS1PR1S1PR3

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 CHUK 627/4885TXNRD1 290/4885NOX4 3397/4885

“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.