SCHEMBL5204926

SCHEMBL5204926

COC(=O)c1ccccc1-c1nnc(-c2ccc(C(C)(C)C)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.59
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
ATR Q13535 1/20 0.52
TP53 P04637 1/20 0.52
ABCG2 Q9UNQ0 3/20 0.49
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SLC6A2 P23975 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
SCHEMBL5206430 0.87 S1PR1 (0.64) S1PR1KDM4EALDH1A1MAPTTP53
SCHEMBL11615983 0.87 ATR (0.64) KDM4EALDH1A1MAPTATRABCG2
SCHEMBL23354290 0.82 SLC6A3 (0.67) KDM4EALDH1A1MAPTSLC6A3SLC6A4
SCHEMBL29979412 0.82 SLC6A3 (0.67) KDM4EALDH1A1MAPTSLC6A3SLC6A4
SCHEMBL968069 0.81 SMN1; SMN2 (0.59) S1PR1KDM4EALDH1A1MAPTTP53
SCHEMBL967102 0.81 SMN1; SMN2 (0.59) S1PR1KDM4EALDH1A1MAPTTP53
SCHEMBL1999483 0.81 S1PR1 (0.79) S1PR1KDM4EALDH1A1MAPTTP53
SCHEMBL30297003 0.81 S1PR1 (0.79) S1PR1KDM4EALDH1A1MAPTTP53
SCHEMBL11816175 0.81 GUSB (0.56) ALDH1A1MAPTATRTP53NPC1
SCHEMBL11400310 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTATRTP53

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 S1PR1 1456/4885KDM4E 2371/4885ALDH1A1 700/4885

“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.