SCHEMBL514114

SCHEMBL514114

COC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
MAPT P10636 4/20 0.60
NPC1 O15118 3/20 0.60
MAPK1 P28482 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MYOC Q99972 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.57
TGM2 P21980 1/20 0.57
POLB P06746 3/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PABPC1 P11940 1/20 0.56

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
SCHEMBL514113 0.84 KMT2A (0.65) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL9994168 0.83 MAPT (0.60) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL513489 0.83 KMT2A (0.59) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL1532248 0.83 KMT2A (0.59) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL2071222 0.83 KMT2A (0.63) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL3573967 0.82 MAPT (0.66) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL2233218 0.82 ALDH1A1 (0.56) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL9609808 0.82 SMN1; SMN2 (0.82) KMT2AMAPTNPC1RAB9AGAA
SCHEMBL642700 0.81 KMT2A (0.81) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL16922176 0.81 KMT2A (0.81) KMT2AMEN1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION 2023-09-07 US disclosed
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-01-24 US disclosed
CN-114615999-A Drug antibody conjugates 法马马有限公司 2022-06-10 CN disclosed
CN-113166102-A Anticancer compounds 法马马有限公司 2021-07-23 CN disclosed
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20090221515-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES INC. (IN) 2009-09-03 US disclosed
CN-1330652-C Novel carbapenem compounds SUMITOMO PHARMA (JP) 2007-08-08 CN disclosed
US-7205291-B2 High mouth absorption; antibiotics against gramnegative, grampositive bacteria espscially Staphlococcus pneumonia, Hemophilus influenza DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-17 US disclosed
CN-1612879-A Novel carbapenem compounds SUMITOMO PHARMA (JP) 2005-05-04 CN disclosed
US-20050020566-A1 Novel carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-01-27 US disclosed
EP-1443047-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-08-04 EP disclosed
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN disclosed
CN-1479618-A Treatment of sexual dysfunction with bombesin antagonists ����-�����ع�˾ 2004-03-03 CN disclosed
US-4410697-A CARBAMATE, AMINE, TERTIARY AMINE CATALYST REANAL FINOMVEGYSZERGYAR (HU) 1983-10-18 US disclosed
WO-1981002156-A1 PROCESS FOR THE PREPARATION OF N-ARYL-N'-(MONO-OR DISUBSTIUTED)-UREA DERIVATIVES REANAL FINOMVEGYSZERGYAR (HU) 1981-08-06 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 (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-20050020566-A1 Novel carbapenem compounds HPN, PRSS1, BPGM KMT2A 2782/4885MEN1 3435/4885MAPT 3098/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC KMT2A 1531/4885MEN1 2840/4885MAPT 3622/4885
US-20230279019-A1 BENZONORBORNADIENE DERIVATIVES AND REACTIONS THEREOF CBR3, CBR1, CNR1 KMT2A 3923/4885MEN1 2994/4885MAPT 4885/4885
US-20090221515-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 KMT2A 3928/4885MEN1 1520/4885MAPT 1370/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC KMT2A 1531/4885MEN1 2840/4885MAPT 3622/4885
US-11560384-B2 Benzonorbornadiene derivatives and reactions thereof CBR3, CBR1, CNR1 KMT2A 3784/4885MEN1 2865/4885MAPT 4877/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 KMT2A 243/4885MEN1 2437/4885MAPT 2148/4885

“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.