SCHEMBL5205641

SCHEMBL5205641

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65
S1PR1 P21453 6/20 0.62
CHUK O15111 1/20 0.57
TXNRD1 Q16881 1/20 0.57
NOX4 Q9NPH5 1/20 0.57
HDAC4 P56524 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CASP3 P42574 2/20 0.56
S1PR3 Q99500 2/20 0.54
SRD5A2 P31213 1/20 0.54
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54
RARG P13631 1/20 0.54
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL5208706 1.00 LMNA (0.65) LMNATHRBS1PR1CHUKTXNRD1
SCHEMBL19131739 0.89 LMNA (0.55) LMNATHRBS1PR1HDAC6S1PR3
SCHEMBL14106267 0.86 KDM4E (0.61) LMNATHRBS1PR1HDAC4HDAC6
SCHEMBL14149921 0.86 NPC1 (0.62) LMNATHRBS1PR1HDAC4HDAC6
SCHEMBL12171106 0.85 RAB9A (0.67) LMNAS1PR1HDAC6S1PR3SRD5A2
SCHEMBL60315 0.85 NPC1 (0.63) LMNATHRBS1PR1CHUKTXNRD1
SCHEMBL4875678 0.85 NPC1 (0.63) LMNATHRBS1PR1CHUKTXNRD1
SCHEMBL29607058 0.85 NPC1 (0.63) LMNATHRBS1PR1CHUKTXNRD1
SCHEMBL5206371 0.83 MAPT (0.63) LMNATHRBS1PR1CHUKTXNRD1
SCHEMBL11711704 0.83 LMNA (0.63) LMNATHRBS1PR1CHUKTXNRD1

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 LMNA 3786/4885THRB 129/4885S1PR1 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.