SCHEMBL82370

SCHEMBL82370

Cc1ccc(/C=C/CCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.48
RELA Q04206 1/20 0.45
CA1 P00915 1/20 0.45
CYP2A6 P11509 1/20 0.42
FBP1 P09467 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIK1 P39086 1/20 0.40

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
SCHEMBL82371 1.00 NFE2L2 (0.48) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL1082918 0.81 NFE2L2 (0.48) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL7542717 0.79 NFE2L2 (0.46) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL7774660 0.79 NFE2L2 (0.46) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL809698 0.79 NFE2L2 (0.42) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL5704309 0.78 NFE2L2 (0.50) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL73286 0.78 AHR (0.50) NFE2L2CYP2A6FBP1ALOX5PTGS1
SCHEMBL8442224 0.78 NFE2L2 (0.50) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL73285 0.78 AHR (0.50) NFE2L2CYP2A6FBP1ALOX5PTGS1
SCHEMBL19452718 0.76 NFE2L2 (0.48) NFE2L2RELACA1CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101362724-A Tetramethylpyrazine acidamides derivates, preparation method and medicament composition and application UNIV SHANDONG (CN) 2009-02-11 CN claimed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
CN-102838625-A Tetrahydropyridothiazole compounds, preparation method thereof, pharmaceutical composition containing same and application thereof SHANGHAI INST MATERIA MEDICA 2012-12-26 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
CN-101362724-B Tetramethylpyrazine acidamides derivates, preparation method and medicament composition and application UNIV SHANDONG 2011-03-16 CN disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
CN-101362724-A Tetramethylpyrazine acidamides derivates, preparation method and medicament composition and application UNIV SHANDONG (CN) 2009-02-11 CN disclosed
CN-1151138-C Triazole antifungal agent ������������ʽ���� 2004-05-26 CN disclosed
CN-1187191-A Triazole antifungal agents SANKYO CO (JP) 1998-07-08 CN disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-4874861-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 US disclosed
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 EP disclosed
US-4115398-A CARDIOVASCULAR DISORDERS KOWA COMPANY LTD. (JP) 1978-09-19 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C NFE2L2 3996/4885RELA 4079/4885CA1 985/4885

“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.