SCHEMBL346077

SCHEMBL346077

O=C(NNc1ccc(C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.46
HCAR3 P49019 7/20 0.44
GCK P35557 2/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL24660367 0.90 KMT2A (0.54) KMT2AEPHX2POLBGAA
SCHEMBL7872045 0.88 HCAR3 (0.51) KMT2AEPHX2HCAR3GCKRARA
SCHEMBL10015137 0.88 KMT2A (0.49) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL3562349 0.83 KMT2A (0.44) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL178731 0.82 KMT2A (0.57) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL13349297 0.82 KMT2A (0.50) KMT2AEPHX2POLB
SCHEMBL29679239 0.80 KMT2A (0.51) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL12235815 0.78 KMT2A (0.64) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL13187755 0.77 EPHX2 (0.60) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL3757636 0.75 KMT2A (0.72) KMT2AEPHX2FABP7FABP5MDM4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396527-B2 Dual mass spectrometry-cleavable crosslinking reagents for protein-protein interactions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-26 US disclosed
US-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 US disclosed
US-20200354403-A1 DUAL MASS SPECTOMETRY-CLEAVABLE CROSSLINKING REAGENTS FOR PROTEIN-PROTEIN INTERACTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-11-12 US disclosed
US-10752655-B2 Dual mass spectrometry-cleavable crosslinking reagents for protein-protein interactions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-25 US disclosed
US-20180346505-A1 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP SOLSTICE BIOLOGICS LTD (IE) 2018-12-06 US disclosed
EP-3229815-A2 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP Solstice Biologics, Ltd. (IE) 2017-10-18 EP disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 US disclosed
EP-3152308-A2 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS Solstice Biologics, Ltd. (IE) 2017-04-12 EP disclosed
EP-3066105-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS Solstice Biologics, Ltd. (IE) 2016-09-14 EP disclosed
US-20160257961-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS BRADSHAW CURT W (US) 2016-09-08 US disclosed
US-20120014972-A1 INFLUENZA VIRUS COMPOSITIONS AND METHODS FOR UNIVERSAL VACCINES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-01-19 US disclosed
US-20120014972-A1 INFLUENZA VIRUS COMPOSITIONS AND METHODS FOR UNIVERSAL VACCINES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-01-19 US disclosed
WO-2011094363-A2 INFLUENZA VIRUS COMPOSITIONS AND METHODS FOR UNIVERSAL VACCINES THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-08-04 WO disclosed
EP-1934251-B1 INTERLEUKIN-8 LABELLED VIA ONE OR MORE SITE SPECIFICALLY CONJUGATED HYDRAZINONICOTINAMIDE (HYNIC) MOIETIES AND ITS USE IN DIAGNOSIS OF INFECTION AND INFLAMMATION STICHTING KATHOLIEKE UNIV (NL) 2010-06-16 EP disclosed
US-20080233084-A1 Interleukin-8 Labelled Via One or More Site Specifically Conjugated Hydrazinonicotinamide (Hynic) Moieties and its Use in Diagnosis of Infection and Inflammation STICHTING KATHOLIEKE UNIVERSITEIT OF NIJMEGEN (NL) 2008-09-25 US disclosed
US-7402385-B2 Radiolabeled antibodies for treatment of tumors ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-07-22 US disclosed
EP-1934251-A2 INTERLEUKIN-8 LABELLED VIA ONE OR MORE SITE SPECIFICALLY CONJUGATED HYDRAZINONICOTINAMIDE (HYNIC) MOIETIES AND ITS USE IN DIAGNOSIS OF INFECTION AND INFLAMMATION Stichting Katholieke Universiteit (NL) 2008-06-25 EP disclosed
WO-2007042946-A2 INTERLEUKIN-8 LABELLED VIA ONE OR MORE SITE SPECIFICALLY CONJUGATED HYDRAZINONICOTINAMIDE (HYNIC) MOIETIES AND ITS USE IN DIAGNOSIS OF INFECTION AND INFLAMMATION STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2007-04-19 WO disclosed
US-20060039858-A1 Radiolabeled antibodies and peptides for treatment of tumors NATIONAL INSTITUTES OF HEALTH 2006-02-23 US disclosed
US-20040156780-A1 Radiolabeled antibodies for treatment of tumors ALBERT EINSTEIN COLLEGE OF MEDICINE 2004-08-12 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 (7 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-20120014972-A1 INFLUENZA VIRUS COMPOSITIONS AND METHODS FOR UNIVERSAL VACCINES CD81, HAVCR2, CD63 KMT2A 1459/4885EPHX2 1083/4885HCAR3 4693/4885
US-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 KMT2A 3810/4885EPHX2 3454/4885HCAR3 4345/4885
US-11396527-B2 Dual mass spectrometry-cleavable crosslinking reagents for protein-protein interactions TIMCC, DCLRE1A, MTCL3 KMT2A 2994/4885EPHX2 2435/4885HCAR3 3034/4885
US-20180346505-A1 MONONUCLEOTIDES HAVING A BIOREVERSIBLE DISULFIDE GROUP HCCS, PNP, NT5C3B KMT2A 1969/4885EPHX2 2177/4885HCAR3 2864/4885
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 KMT2A 3810/4885EPHX2 3454/4885HCAR3 4345/4885
US-10752655-B2 Dual mass spectrometry-cleavable crosslinking reagents for protein-protein interactions TIMCC, DCLRE1A, MTCL3 KMT2A 2994/4885EPHX2 2435/4885HCAR3 3034/4885
US-20200354403-A1 DUAL MASS SPECTOMETRY-CLEAVABLE CROSSLINKING REAGENTS FOR PROTEIN-PROTEIN INTERACTIONS TIMCC, MTCL3, DCLRE1A KMT2A 3716/4885EPHX2 3794/4885HCAR3 2720/4885

“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.