SCHEMBL3532469

SCHEMBL3532469

CC(C)(C)c1cc(-n2nc3cc(Br)cc(Br)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IGF1R P08069 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3538222 0.84 HSP90AA1 (0.38) HSP90AA1NPC1RAB9AIGF1RCISD1
SCHEMBL3531495 0.83
SCHEMBL3529911 0.83 HSP90AA1 (0.38) HSP90AA1IGF1RCISD1CYP1A2CYP2C9
SCHEMBL5834099 0.82 NPC1 (0.38) HSP90AA1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL4578543 0.80 POLB (0.44) NPC1RAB9AIGF1RCISD1CYP1A2
SCHEMBL29350736 0.77 NPC1 (0.49) HSP90AA1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL22080762 0.77 HSP90AA1 (0.39) HSP90AA1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL22080832 0.77 HSP90AA1 (0.39) HSP90AA1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL29708 0.77 NPC1 (0.49) HSP90AA1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL11079994 0.77 NPC1 (0.38) HSP90AA1NPC1RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US claimed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO claimed
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO 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 HSP90AA1 4435/4885NPC1 4245/4885RAB9A 4697/4885

“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.