SCHEMBL5206450

SCHEMBL5206450

CC(C)(C)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3[N+](=O)[O-])o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
THRB P10828 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
S1PR1 P21453 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
CASP6 P55212 1/20 0.44
TP53 P04637 1/20 0.43
GUSB P08236 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
SCHEMBL5207567 0.89 KDM4E (0.47) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5202505 0.88 ALDH1A1 (0.59) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5203249 0.81 S1PR1 (0.61) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5206623 0.80 NPC1 (0.68) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL21760737 0.79 NPC1 (0.66) KDM4ENPC1RAB9ANR1H4S1PR1
SCHEMBL5202688 0.79 MYC (0.58) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5204029 0.77 NPC1 (0.64) MAPTALDH1A1NPC1RAB9ATHRB
SCHEMBL1505169 0.76 MYC (0.58) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL968770 0.76 NPC1 (0.66) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL968281 0.76 MYC (0.58) MAPTALDH1A1KDM4ENPC1RAB9A

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 MAPT 4855/4885ALDH1A1 700/4885KDM4E 2371/4885

“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.