SCHEMBL800722

SCHEMBL800722

C=C(N)NCC(=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL800636 0.81 TDP1 (0.34) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL25637524 0.78 ECE1 (0.36) ALDH1A1
SCHEMBL800668 0.77 ALDH1A1 (0.30) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL15604274 0.75 EPHX1 (0.34) ALDH1A1CYP2D6CYP2C19
SCHEMBL15729731 0.74 DPP4 (0.42) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL10136465 0.73 KDM4E (0.40) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL12017871 0.73 ALDH1A1 (0.43) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL10140886 0.73 CYP2D6 (0.50) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL21393747 0.73
SCHEMBL13895432 0.73 TERT (0.38) TDP1ALDH1A1LMNAMAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911412-B2 Derivatized chitosan polymers and methods of treating vascular disorders SYNEDGEN, INC. (US) 2024-02-27 US disclosed
US-20230181623-A1 COMPOSITIONS AND METHODS OF USE FOR WOUND HEALING SYNEDGEN, INC. 2023-06-15 US disclosed
US-10022393-B2 Methods for treatment or prevention of damage resulting from radiation, trauma or shock SYNEDGEN, INC. (US) 2018-07-17 US disclosed
US-20160022730-A1 COMPOSITIONS AND METHODS OF USE FOR WOUND HEALING SYNEDGEN, INC. 2016-01-28 US disclosed
US-20160022564-A1 ORAL FORMULATION OF POLYGLUCOSAMINE DERIVATIVES IN COMBINATION WITH A NON-FERMENTABLE SUGAR SYNEDGEN INC (US) 2016-01-28 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20140080785-A1 METHODS FOR TREATMENT OR PREVENTION OF DAMAGE RESULTING FROM RADIATION, TRAUMA OR SHOCK SYNEDGEN, INC. (US) 2014-03-20 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-8119780-B2 Chitosan-derivative compounds and methods of controlling microbial populations SYNEDGEN, INC. (US) 2012-02-21 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 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 (10 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A TDP1 624/4885ALDH1A1 2246/4885LMNA 2708/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B TDP1 586/4885ALDH1A1 1081/4885LMNA 2576/4885
US-20230181623-A1 COMPOSITIONS AND METHODS OF USE FOR WOUND HEALING PARG, ARGLU1, AREG TDP1 3421/4885ALDH1A1 3165/4885LMNA 2017/4885
US-10022393-B2 Methods for treatment or prevention of damage resulting from radiation, trauma or shock HMGB1, ELANE, SERPINB1 TDP1 882/4885ALDH1A1 2079/4885LMNA 843/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 TDP1 434/4885ALDH1A1 2214/4885LMNA 2512/4885
US-20160022730-A1 COMPOSITIONS AND METHODS OF USE FOR WOUND HEALING PARG, ARGLU1, AREG TDP1 3421/4885ALDH1A1 3165/4885LMNA 2017/4885
US-20140080785-A1 METHODS FOR TREATMENT OR PREVENTION OF DAMAGE RESULTING FROM RADIATION, TRAUMA OR SHOCK HMGB1, ELANE, SERPINB1 TDP1 882/4885ALDH1A1 2079/4885LMNA 843/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 TDP1 509/4885ALDH1A1 1933/4885LMNA 2583/4885
US-20160022564-A1 ORAL FORMULATION OF POLYGLUCOSAMINE DERIVATIVES IN COMBINATION WITH A NON-FERMENTABLE SUGAR FUT6, FUT5, PGLS TDP1 3310/4885ALDH1A1 4166/4885LMNA 3204/4885
US-11911412-B2 Derivatized chitosan polymers and methods of treating vascular disorders CHIA, CHI3L1, CHI3L2 TDP1 2402/4885ALDH1A1 2896/4885LMNA 927/4885

“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.