SCHEMBL707247

SCHEMBL707247

Cc1cc(NC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
MAP4K4 O95819 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP17A1 P05093 3/20 0.44
MAPKAPK2 P49137 3/20 0.44
GAA P10253 1/20 0.43
PSMB8 P28062 1/20 0.42
NAMPT P43490 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL29425603 1.00 CA12 (0.54) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL714227 0.88 CA12 (0.54) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL30078221 0.88 CA12 (0.54) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL13624134 0.87 CA12 (0.50) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL16044613 0.86 CA12 (0.47) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL13197992 0.85 CA12 (0.58) CA12CA1CA9ALDH1A1ALOX15
SCHEMBL2178849 0.84 ALDH1A1 (0.56) CA12CA1CA9ALDH1A1CYP3A4
SCHEMBL30887589 0.84 CA1 (0.48) CA12CA1CA9MAP4K4ALDH1A1
SCHEMBL29965600 0.83 SMN1; SMN2 (0.52) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL21262587 0.83 SMN1; SMN2 (0.52) ALDH1A1CYP3A4THRBALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-06-15 US disclosed
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-06-15 US disclosed
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2023-04-25 US disclosed
US-11261189-B2 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases GENOSCIENCE PHARMA (FR) 2022-03-01 US disclosed
CN-113444016-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-09-28 CN disclosed
EP-3846814-A1 SUBSTITUTED 2,4 DIAMINO-QUINOLINE AS NEW MEDICAMENT FOR FIBROSIS, AUTOPHAGY AND CATHEPSINS B (CTSB), L (CTSL) AND D (CTSD) RELATED DISEASES Genoscience Pharma (FR) 2021-07-14 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
CN-107734969-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-06-01 CN disclosed
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-20030145764-A1 P-diaminobenzene derivatives and dyes containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-08-07 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
EP-1183227-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-06 EP disclosed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 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 (6 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-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CA12 4010/4885CA1 2639/4885CA9 1323/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CA12 4010/4885CA1 2639/4885CA9 1323/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM CA12 2012/4885CA1 2791/4885CA9 982/4885
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CA12 4010/4885CA1 2639/4885CA9 1323/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO CA12 855/4885CA1 627/4885CA9 1647/4885
US-11261189-B2 Substituted 2,4 diamino-quinoline as new medicament for fibrosis, autophagy and cathepsins B (CTSB), L (CTSL) and D (CTSD) related diseases CTSB, CTSD, CTSA CA12 4388/4885CA1 4783/4885CA9 4251/4885

“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.