SCHEMBL12889986

SCHEMBL12889986

CC(=O)N(/C=C/C=C/C=C/C1=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c2C1(C)C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.57
NR1I2 O75469 1/20 0.57
PGR P06401 1/20 0.57
ADRB1 P08588 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CHRM3 P20309 1/20 0.57
CNR1 P21554 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
HRH2 P25021 1/20 0.57
HTR2C P28335 1/20 0.57
BDKRB2 P30411 1/20 0.57
ADORA1 P30542 1/20 0.57
AGTR1 P30556 1/20 0.57
SLC6A4 P31645 1/20 0.57

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
SCHEMBL19787795 0.93 BLM (0.59) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL30735656 0.93 BLM (0.59) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL12889983 0.86 PRMT1 (0.53) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL14883332 0.85 PRMT1 (0.52) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL10111609 0.85 MLNR (0.40) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL17992180 0.84 MLNR (0.65) MLNRNR1I2PGRADRB1ADORA3
Water SCHEMBL8441170 0.83 MLNR (0.64) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL16558872 0.83 BLM (0.41) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL10111579 0.83 MAPT (0.41) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL13172794 0.83 MAPT (0.41) MLNRNR1I2PGRADRB1ADORA3

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
WO-2023078464-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海弼领生物技术有限公司 2023-05-11 WO disclosed
US-20160222212-A1 Asulfonate Discrete PEG Based Dyes EQUIP, LLC (US) 2016-08-04 US disclosed
US-9302018-B2 Fluorescent probe for imaging lymph nodes EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
US-20150073154-A1 Discrete PEG Based Dyes EQUIP, LLC (US) 2015-03-12 US disclosed
US-20140369935-A1 LIPOSOME COMPOSITE BODY NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2014-12-18 US disclosed
US-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2013-05-23 US disclosed
US-8343463-B2 Optical imaging agent NUMIRA BIOSCIENCES INC. (US) 2013-01-01 US disclosed
US-20110027191-A1 OPTICAL IMAGING AGENT NUMIRA BIOSCIENCES, INC. (US) 2011-02-03 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 (4 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-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes PLIN5, LIPA, LY6K MLNR 52/4885NR1I2 2617/4885PGR 3184/4885
US-20110027191-A1 OPTICAL IMAGING AGENT TNNC1, TNNI3, MB MLNR 1187/4885NR1I2 2024/4885PGR 4045/4885
US-20150073154-A1 Discrete PEG Based Dyes MKI67, MUC1, TP53 MLNR 1900/4885NR1I2 1378/4885PGR 974/4885
US-20140369935-A1 LIPOSOME COMPOSITE BODY PLIN5, LIPA, NPC1L1 MLNR 966/4885NR1I2 2121/4885PGR 3458/4885

“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.