SCHEMBL6995577

SCHEMBL6995577

COCCNc1cccc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
HTT P42858 1/20 0.71
F2 P00734 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNH3 Q9ULD8 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ICMT O60725 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL18338114 0.90 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12074773 0.88 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.84 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9468808 0.83 HTT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4420898 0.83 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7221434 0.81 MEN1 (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10996432 0.80 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28564265 0.80 THRB (0.52) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.80 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21928897 0.80 DRD4 (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 EP claimed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO PHARMA (FR) 2023-10-12 US disclosed
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 US disclosed
CN-116178981-A Brilliant blue disperse dye compound, composition, preparation method and application thereof 乐平市赛复乐医药化工有限公司 2023-05-30 CN disclosed
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES Institut National de la Santé et de la Recherche Médicale (FR) 2021-02-11 US disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
CN-106478543-B Benzisothiazole dye monomer compound and intermediate, preparation method and application thereof 浙江闰土研究院有限公司 2020-03-06 CN disclosed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 EP disclosed
CN-85108256-A LIGHT-SENSITIVE SILVER HALIDE PHOTOGRAPHIC MATERIAL 1986-05-10 CN disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 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 (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-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH MAPT 2844/4885CYP1A2 1926/4885CYP3A4 997/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH MAPT 2844/4885CYP1A2 1926/4885CYP3A4 997/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD MAPT 4706/4885CYP1A2 1691/4885CYP3A4 2219/4885
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD MAPT 4706/4885CYP1A2 1691/4885CYP3A4 2219/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD MAPT 4706/4885CYP1A2 1691/4885CYP3A4 2219/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD MAPT 4706/4885CYP1A2 1691/4885CYP3A4 2219/4885
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS TST, TPMT, MMP1 MAPT 4017/4885CYP1A2 1131/4885CYP3A4 2284/4885

“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.