SCHEMBL14746323

SCHEMBL14746323

N#CC(=C(C#N)c1ccc(N(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 4/20 0.37
MAPK1 P28482 2/20 0.37
CYP19A1 P11511 1/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL14746322 1.00 ESR1 (0.43) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL16760716 0.93 ESR1 (0.50) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL14744143 0.93 MEN1 (0.46) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL14744144 0.93 MEN1 (0.46) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL22361623 0.91 ESR1 (0.39) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL19491805 0.89 ESR1 (0.43) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL22361612 0.89 ESR1 (0.42) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL14029172 0.86 CES2 (0.43) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL13480599 0.84 ALDH1A1 (0.52) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL15858536 0.84 ALDH1A1 (0.52) ESR1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-25 US disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 US disclosed
WO-2013029340-A9 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-07-11 WO disclosed
WO-2013029340-A1 BIOCOMPATIBLE NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBES AND METHODS OF USING THE SAME FOR IN VITRO AND IN VIVO IMAGING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-03-07 WO 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 (2 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-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging LGALS3, LGALS1, CD63 ESR1 2276/4885MEN1 1917/4885KMT2A 4428/4885
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging LGALS3, LGALS1, CD63 ESR1 2276/4885MEN1 1917/4885KMT2A 4428/4885

“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.