SCHEMBL3537498

SCHEMBL3537498

COc1c(-n2nc3ccccc3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNFRSF1A P19438 1/20 0.34
POLB P06746 3/20 0.34
METAP2 P50579 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 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
SCHEMBL13017779 0.88 ADORA2A (0.33) HTTNPC1RAB9AKDM4EPPARG
SCHEMBL12199846 0.85 NR1I2 (0.34) NPC1RAB9AKDM4E
SCHEMBL3533044 0.84 MEN1 (0.35) NPC1RAB9APPARGPTGS2RARG
SCHEMBL9872313 0.83 NPC1 (0.50) HTTNPC1RAB9ALMNAKDM4E
SCHEMBL17126927 0.82 HTT (0.37) HTTNPC1RAB9ALMNAKDM4E
SCHEMBL14594273 0.81 KDM4E (0.39) HTTNPC1RAB9ALMNAKDM4E
SCHEMBL12706079 0.81 SMN1; SMN2 (0.37) HTTNPC1RAB9ALMNAKDM4E
SCHEMBL3538164 0.81 PTGS2 (0.31) PPARGTNFRSF1APTGS2RARGRXRA
SCHEMBL13376132 0.80 ADORA2A (0.34) LMNAKDM4ETNFRSF1APOLBMETAP2
Naphthalene SCHEMBL9872543 0.80 RAB9A (0.47) HTTNPC1RAB9ALMNAKDM4E

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-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 HTT 464/4885NPC1 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.