SCHEMBL3534777

SCHEMBL3534777

CC(C)(C)c1cc(-n2nc3c(CCl)ccc(CCl)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
HSPA5 P11021 2/20 0.32
PON1 P27169 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL3534901 0.82 DHFR (0.30) HSP90AA1PON1
SCHEMBL10039090 0.81 HSP90AA1 (0.38) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL3529911 0.80 HSP90AA1 (0.38) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL11079994 0.76 NPC1 (0.38) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL29350736 0.76 NPC1 (0.49) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL29708 0.76 NPC1 (0.49) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL30050722 0.76 NPC1 (0.44) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL5433950 0.76 NPC1 (0.44) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL31398377 0.75 NPC1 (0.37) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL3532986 0.75 CYP1A2 (0.41) CYP2C19CYP2C9CYP1A2CYP3A4TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 CYP2C19 4122/4885CYP2C9 3634/4885CYP1A2 4297/4885

“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.