SCHEMBL6734715

SCHEMBL6734715

CC(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
LMNA P02545 7/20 0.55
HTT P42858 4/20 0.55
GAA P10253 3/20 0.54
NPC1 O15118 2/20 0.54
MITF O75030 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GLO1 Q04760 1/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 2/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
GLA P06280 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL11407927 0.83 LMNA (0.56) MAPTLMNAHTTGAANPC1
5-Nitro-2-Furoic Acid SCHEMBL1221377 0.82 LMNA (0.58) LMNAHTTGAANPC1MITF
SCHEMBL14489520 0.82 MAPT (0.43) MAPTLMNAHTTGAANPC1
SCHEMBL11455980 0.81 LMNA (0.56) MAPTLMNAHTTGAANPC1
SCHEMBL11407300 0.80 LMNA (0.56) MAPTLMNAHTTGAANPC1
Metofurone SCHEMBL687311 0.80 RAB9A (0.54) MAPTLMNAHTTGAANPC1
SCHEMBL1199803 0.80 L3MBTL1 (0.55) MAPTLMNAHTTGAANPC1
SCHEMBL6352334 0.80 LMNA (0.53) MAPTLMNAHTTGAANPC1
5-Nitro-2-Furoic Acid SCHEMBL2115021 0.80 LMNA (0.57) LMNAHTTGAANPC1MITF
SCHEMBL13101048 0.79 LMNA (0.51) MAPTLMNAHTTGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 US disclosed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 CN disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 EP disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 EP disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
EP-1409464-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2004-04-21 EP disclosed
WO-2003008389-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2003-01-30 WO disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed
US-4224448-A FUNGICIDES, BACTERICIDES HABER RAPHAEL R G 1980-09-23 US disclosed
US-4093812-A MICROBIOCIDES, DISINFECTANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1978-06-06 US disclosed
US-4087427-A BACTERICIDES, FUNGICIDES HABER RAPHAEL RALPH GEORGE 1978-05-02 US disclosed
US-4072496-A 2,6-Dichlorobenzaldehyde tetrahydro-2-furoyl hydrazone and its use as a ripener for sugarcane W. R. GRACE & CO. (US) 1978-02-07 US disclosed
US-3992186-A INCREASING SUCROSE YIELD HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1976-11-16 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 (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-20220009875-A1 NITRATION NOS1, NOS2, NOS3 MAPT 3137/4885LMNA 4595/4885HTT 2753/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MAPT 4456/4885LMNA 4159/4885HTT 4790/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 MAPT 3137/4885LMNA 4595/4885HTT 2753/4885

“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.