SCHEMBL25762

SCHEMBL25762

CC(Cl)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 1/20 0.40
HPGD P15428 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
SCHEMBL25763 1.00 LMNA (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL26110 0.89 LMNA (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL24651 0.86 LMNA (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL24652 0.86 LMNA (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7200664 0.83 CYP1A2 (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9457632 0.83 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25502 0.82 RECQL (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25503 0.82 RECQL (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL636942 0.81 MEN1 (0.40) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL24993 0.81 MEN1 (0.40) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722285-B1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2022-03-30 EP claimed
EP-3722285-A1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL Alfred E. Tiefenbacher (GmbH & Co. KG) (DE) 2020-10-14 EP claimed
EP-3722285-B1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2022-03-30 EP disclosed
EP-3722285-A1 PROCESS FOR PREPARING MIRABEGRON ENACARBIL Alfred E. Tiefenbacher (GmbH & Co. KG) (DE) 2020-10-14 EP disclosed
EP-3489224-A1 MIRABEGRON PRODRUGS Alfred E. Tiefenbacher (GmbH & Co. KG) (DE) 2019-05-29 EP disclosed
EP-3360866-B1 MIRABEGRON PRODRUGS TIEFENBACHER ALFRED E GMBH & CO KG (DE) 2019-01-02 EP disclosed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 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
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO 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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 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 (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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 LMNA 3012/4885SMN1; SMN2 1234/4885ALDH1A1 298/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 LMNA 3012/4885SMN1; SMN2 1234/4885ALDH1A1 298/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 LMNA 3012/4885SMN1; SMN2 1234/4885ALDH1A1 298/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 LMNA 4029/4885SMN1; SMN2 3797/4885ALDH1A1 976/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 LMNA 4029/4885SMN1; SMN2 3797/4885ALDH1A1 976/4885

“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.