SCHEMBL5206695

SCHEMBL5206695

COC(=O)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.46
ADCY8 P40145 2/20 0.45
ADCY1 Q08828 2/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
S1PR1 P21453 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL5207718 0.86 KDM4E (0.51) ABCG2SMN1; SMN2RAB9ANPSR1KDM4E
SCHEMBL5203117 0.86 ABCG2 (0.58) ABCG2SMN1; SMN2RAB9ANPSR1KDM4E
SCHEMBL5202688 0.83 MYC (0.58) ABCG2SMN1; SMN2RAB9ANPSR1KDM4E
SCHEMBL26915315 0.80 RAB9A (0.52) ABCG2SMN1; SMN2RAB9ANPSR1KDM4E
SCHEMBL2484166 0.80 KDM4E (0.51) SMN1; SMN2RAB9ANPSR1KDM4EHPGD
SCHEMBL16107684 0.77 CFTR (0.54) KDM4EHPGDTDP1HSD17B10ALDH1A1
SCHEMBL5203249 0.77 S1PR1 (0.61) SMN1; SMN2RAB9AKDM4EHPGDNPC1
SCHEMBL12255362 0.75 KDM4E (0.47) SMN1; SMN2RAB9ANPSR1KDM4EHPGD
SCHEMBL968069 0.74 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AKDM4EHPGDNPC1
SCHEMBL967102 0.74 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AKDM4EHPGDNPC1

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 ABCG2 1644/4885SMN1; SMN2 4686/4885RAB9A 1448/4885

“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.