SCHEMBL4642829

SCHEMBL4642829

Cc1ccnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
PARP1 P09874 1/20 0.53
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 3/20 0.47
PIK3CA P42336 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDR P35968 1/20 0.46
EGFR P00533 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45

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
SCHEMBL30349874 1.00 L3MBTL1 (0.54) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL9800651 0.84 HTT (0.49) L3MBTL1CCNCCDK8ALDH1A1CYP3A4
SCHEMBL15910663 0.81 ALDH1A1 (0.60) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL16289937 0.80 PARP1 (0.53) L3MBTL1CCNCCDK8PARP1CYP3A4
SCHEMBL537862 0.80 PARP1 (0.53) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL537824 0.80 PARP1 (0.53) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL6202198 0.80 NR4A2 (0.53) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL31067263 0.80 PARP1 (0.53) L3MBTL1CCNCCDK8PARP1ALDH1A1
SCHEMBL22492337 0.80 PARP1 (0.53) L3MBTL1CCNCCDK8PARP1CYP3A4
SCHEMBL6848360 0.77 KMT2A (0.55) ALDH1A1TDP1TSHRSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113347965-B TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2025-02-18 CN disclosed
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 US disclosed
EP-3883556-A2 TGF? INHIBITOR AND PRODRUGS Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2021-09-29 EP disclosed
CN-113347965-A TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2021-09-03 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-20080124732-A1 METHOD FOR OPTICAL MEASUREMENT OF MULTI-STRANDED NUCLEIC ACID FUJIFILM CORPORATION 2008-05-29 US disclosed
EP-1889880-A2 Method for optical measurement of multi-stranded nucleic acid FUJIFILM Corporation (JP) 2008-02-20 EP disclosed
EP-1362894-B1 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-20050112770-A1 Method for optical measurement of multi-stranded nucleic acid FUJI PHOTO FILM CO., LTD. 2005-05-26 US disclosed
EP-1362894-A2 Method for optical measurement of multi-stranded nucleic acid using cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2003-11-19 EP 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 (3 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 L3MBTL1 1558/4885CCNC 2710/4885CDK8 1517/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 L3MBTL1 369/4885CCNC 2881/4885CDK8 3738/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 L3MBTL1 39/4885CCNC 2113/4885CDK8 1061/4885

“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.