SCHEMBL2799686

SCHEMBL2799686

CC(C)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
P2RX3 P56373 1/20 0.51
BAX Q07812 1/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
DNMT1 P26358 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAD52 P43351 1/20 0.47
TSPO P30536 1/20 0.45

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
SCHEMBL2801681 0.92 ALDH1A1 (0.61) DNM1MAPTSMN1; SMN2P2RX3TP53
SCHEMBL2803193 0.86 ALDH1A1 (0.56) DNM1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15571169 0.85 DNM1 (0.56) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL16241623 0.85 DNM1 (0.65) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL29448105 0.85 DNM1 (0.65) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL29556276 0.85 DNM1 (0.44) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL19056362 0.85 DNM1 (0.44) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL25492221 0.82 DNM1 (0.57) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL2801633 0.82 DNM1 (0.43) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL483188 0.81 ALDH1A1 (0.54) DNM1MAPTSMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 US disclosed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 US disclosed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 US disclosed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 US disclosed
WO-2016112220-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2016-07-14 WO disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES CBR3, TPD52L2, TNS4 DNM1 2752/4885MAPT 2483/4885SMN1; SMN2 4062/4885
US-10005787-B2 Highly photo-stable bis-triazole fluorophores CBR3, TPD52L2, TNS4 DNM1 2752/4885MAPT 2483/4885SMN1; SMN2 4062/4885
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 DNM1 2874/4885MAPT 218/4885SMN1; SMN2 3079/4885

“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.