SCHEMBL5203797

SCHEMBL5203797

COC(=O)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
S1PR1 P21453 2/20 0.47
NPC1 O15118 4/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL22116832 0.86 MAPT (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13063663 0.85 LMNA (0.56) MAPTLMNAPTPN1
SCHEMBL2271347 0.85 LMNA (0.56) MAPTLMNAPTPN1
SCHEMBL385370 0.83 LMNA (0.60) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL14872141 0.82 LMNA (0.52) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL6902571 0.82 CSNK2A2 (0.59) ALDH1A1KDM4EMEN1KMT2AHDAC1
SCHEMBL7324615 0.82 CA1 (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27316369 0.81 LMNA (0.59) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL6539013 0.81 CA1 (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7221406 0.80 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A

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 ALDH1A1 700/4885MAPT 4855/4885KDM4E 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.