SCHEMBL6476816

SCHEMBL6476816

Cn1c(-c2ccccc2)c(/C=C/C(=O)N(CCc2cccs2)CC(=O)O)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
THRB P10828 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HTR6 P50406 1/20 0.34
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL6476824 1.00 ABCB1 (0.40) ABCB1THRBALDH1A1TRPM8HTR6
Acetic Acid SCHEMBL6476822 0.80 ABCB1 (0.46) ABCB1MAPTENPP2
SCHEMBL6478016 0.74 ABCB1 (0.48) ABCB1ALDH1A1MAPT
SCHEMBL6478007 0.74 ABCB1 (0.48) ABCB1ALDH1A1MAPT
SCHEMBL6487252 0.71 ABCB1 (0.43) ABCB1ALDH1A1MAPT
SCHEMBL6487256 0.71 ABCB1 (0.43) ABCB1ALDH1A1MAPT
SCHEMBL6477752 0.70 ABCB1 (0.47) ABCB1ALDH1A1MAPT
SCHEMBL6477755 0.70 ABCB1 (0.47) ABCB1ALDH1A1MAPT
SCHEMBL6487165 0.69 ABCB1 (0.45) ABCB1ALDH1A1HTR6MAPT
SCHEMBL6487159 0.69 ABCB1 (0.45) ABCB1ALDH1A1HTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US claimed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP claimed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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 (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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 ABCB1 2911/4885THRB 455/4885ALDH1A1 2521/4885

“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.