SCHEMBL837643

SCHEMBL837643

CC(NC(=N)N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
F7 P08709 2/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL7020082 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL29074405 0.89 PRCP (0.50) HDAC3HDAC4HDAC1ALDH1A1MEN1
SCHEMBL7716515 0.85 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL874296 0.85 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL7712251 0.83 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL20853644 0.83 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL7712246 0.83 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23116504 0.82 MASP2 (0.40) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL1286910 0.82 ESR1 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL28488377 0.82 LMNA (0.43) ALDH1A1LMNAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160886-A1 POLYMER-BASED MACROMOLECULAR PRODRUGS THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2022-05-26 US claimed
US-20210000967-A1 POLYMER-BASED MACROMOLECULAR PRODRUGS THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2021-01-07 US claimed
EP-2474525-B1 Ligands for imaging cardiac innervation LANTHEUS MEDICAL IMAGING INC (US) 2020-04-15 EP disclosed
US-9109048-B2 Inhibition of tumor growth LYTIX BIOPHARMA AS (NO) 2015-08-18 US disclosed
US-20140037657-A1 INHIBITION OF TUMOR GROWTH LYTIX BIOPHARMA AS (NO) 2014-02-06 US disclosed
US-8283315-B2 Inhibition of tumour growth LYTIX BIOPHARMA AS (NO) 2012-10-09 US disclosed
US-8143211-B2 Bioactive peptides LYTIX BIOPHARMA AS (NO) 2012-03-27 US disclosed
CN-101888850-A Peptide compounds for the treatment of obesity and insulin resistance MERCK SHARP & DOHME 2010-11-17 CN disclosed
US-20080287346-A1 Bioactive peptides SVENDSEN JOHN SIGURD 2008-11-20 US disclosed
US-7439228-B2 Bioactive peptides LYTIX BIOPHARMA AS (NO) 2008-10-21 US disclosed
CN-101277960-A Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK & CO INC (US) 2008-10-01 CN disclosed
US-20080019993-A1 Inhibition of tumour growth LYTIX BIOPHARMA AS (NO) 2008-01-24 US disclosed
US-6890902-B2 Cytotoxic modified lactoferrin peptides ALPHARMA AS (NO) 2005-05-10 US disclosed
EP-1109831-A2 CYCTOTOXIC PEPTIDES MODIFIED BY BULKY OR LIPOPHILIC MOIETIES ALPHARMA AS (NO) 2001-06-27 EP disclosed
EP-1109827-A2 BIOACTIVE PEPTIDES ALPHARMA AS (NO) 2001-06-27 EP disclosed
WO-2000012542-A2 CYTOTOXIC LACTOFERRIN DERIVATIVES MODIFIED BY BULKY OR LIPOPHILIC MOIETIES ALPHARMA AS (NO) 2000-03-09 WO disclosed
WO-2000012541-A2 CYTOTOXIC PEPTIDES MODIFIED BY BULKY OR LIPOPHILIC MOIETIES ALPHARMA AS (NO) 2000-03-09 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 (5 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-20080287346-A1 Bioactive peptides VIP, NGLY1, IAPP HDAC3 3434/4885HDAC4 3277/4885HDAC1 3223/4885
US-20080019993-A1 Inhibition of tumour growth STING1, VIP, MIF HDAC3 4221/4885HDAC4 2568/4885HDAC1 2811/4885
US-20220160886-A1 POLYMER-BASED MACROMOLECULAR PRODRUGS PAICS, PNKP, NAMPT HDAC3 498/4885HDAC4 244/4885HDAC1 171/4885
US-20210000967-A1 POLYMER-BASED MACROMOLECULAR PRODRUGS PAICS, PNKP, NAMPT HDAC3 498/4885HDAC4 244/4885HDAC1 171/4885
US-20140037657-A1 INHIBITION OF TUMOR GROWTH STING1, VIP, MIF HDAC3 3949/4885HDAC4 2008/4885HDAC1 2445/4885

“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.