SCHEMBL5495389

SCHEMBL5495389

C=CC(OC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SRD5A2 P31213 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ CES1 P23141 2/20 0.41
▸ CES2 O00748 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL5495387 0.89 KMT2A (0.45) TDP1MEN1KMT2AMAPTSRD5A2
SCHEMBL29071444 0.82 ACP3 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8408254 0.82 ALDH1A1 (0.43) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL14703649 0.79 MGLL (0.48) MEN1KMT2AMAPTSRD5A2ALDH1A1
SCHEMBL2886387 0.78 CYP2C19 (0.43) TDP1KMT2AALDH1A1HPGDCES1
SCHEMBL15288279 0.78 ALDH1A1 (0.42) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28701229 0.77 ALDH1A1 (0.41) TDP1MEN1KMT2AMAPTSRD5A2
SCHEMBL28450136 0.77 CYP2C19 (0.45) MEN1KMT2ATGM2CES1CES2
SCHEMBL4660421 0.76 TDP1 (0.44) TDP1MAPTALDH1A1HPGDCA1
SCHEMBL5603510 0.76 ALDH1A1 (0.39) TDP1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968823-A Alkenyl substituted 2, 5-piperazinediones and their use in compositions for delivering an agent to a subject or cell 麻省理工学院 2022-01-25 — — CN disclosed
CN-107848988-B Alkenyl substituted 2, 5-piperazinediones and their use in compositions for delivering an agent to a subject or cell 麻省理工学院 2021-10-22 — — CN disclosed
CN-112386604-A Modulators of cGAS 纪念斯隆-凯特琳癌症中心 2021-02-23 — — CN disclosed
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 — — EP disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 — — US disclosed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 — — US disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 — — US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 — — US disclosed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 — — EP disclosed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 — — US disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 — — 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-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 TDP1 2764/4885MEN1 4773/4885KMT2A 3680/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 TDP1 2764/4885MEN1 4773/4885KMT2A 3680/4885

“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.

Send feedback