SCHEMBL2801025

SCHEMBL2801025

Brc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(Br)cc5)o4)c3)o2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.86
RAB9A P51151 15/20 0.86
ALDH1A1 P00352 5/20 0.86
KMT2A Q03164 4/20 0.86
MEN1 O00255 3/20 0.86
CYP1A2 P05177 2/20 0.86
SMN1; SMN2 Q16637 12/20 0.70
TSHR P16473 7/20 0.70
TP53 P04637 4/20 0.70
MAPT P10636 3/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HPGD P15428 6/20 0.61
HSD17B10 Q99714 3/20 0.59
DGAT1 O75907 1/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NFKB1 P19838 2/20 0.55

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
SCHEMBL20385206 0.93 NPC1 (0.75) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL861223 0.88 NPC1 (0.74) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL2245998 0.87 DGAT1 (0.72) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL9610048 0.87 DGAT1 (0.72) NPC1RAB9AALDH1A1KMT2AMEN1
Bromide SCHEMBL5999618 0.85 DGAT1 (0.69) NPC1RAB9AALDH1A1KMT2AMEN1
Bromide SCHEMBL5999620 0.85 DGAT1 (0.69) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3655555 0.85 NPC1 (0.67) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL28757727 0.84 NPC1 (0.68) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6364718 0.83 RAB9A (0.89) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL14378791 0.83 NPC1 (0.81) NPC1RAB9AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 US disclosed
US-6682782-B2 TRANSISTORS, LIQUID CRYSTAL DISPLAY, ELECTROOPTICS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-01-27 US disclosed
EP-1170273-B1 Alkynic compounds, their use as monomers in vacuum deposition polymerisation, thin films formed from these polymers and their use in electroluminescent devices KOREA RES INST CHEM TECH (KR) 2003-05-28 EP disclosed
US-20020018912-A1 Organic compound having an acetylene group, vacuum deposition polymerization thereof, deposited polymerized thin film, and electroluminescence device containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-14 US disclosed
EP-1170273-A1 Alkynic compounds, their use as monomers in vacuum deposition polymerisation, thin films formed from these polymers and their use in electroluminescent devices KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-01-09 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 NPC1 489/4885RAB9A 560/4885ALDH1A1 2164/4885

“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.