SCHEMBL6479398

SCHEMBL6479398

CCOC(=O)C1CCCC1NC(=O)C=Cc1c(-c2ccccc2)n(C)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
CTSB P07858 1/20 0.39
JAK1 P23458 1/20 0.38
F9 P00740 3/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ELANE P08246 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC8A1 P32418 1/20 0.33
MGLL Q99685 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
SCHEMBL6479390 1.00 ABCB1 (0.46) ABCB1CTSBJAK1F9F10
SCHEMBL6477752 0.79 ABCB1 (0.47) ABCB1ELANEKDM4EMEN1MAPT
SCHEMBL6477755 0.79 ABCB1 (0.47) ABCB1ELANEKDM4EMEN1MAPT
SCHEMBL6478016 0.73 ABCB1 (0.48) ABCB1KDM4EMEN1MAPTKMT2A
SCHEMBL6478007 0.73 ABCB1 (0.48) ABCB1KDM4EMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6479319 0.71 ABCB1 (0.48) ABCB1MAPTSMN1; SMN2MGLL
Hydrochloric Acid SCHEMBL6479323 0.71 ABCB1 (0.48) ABCB1MAPTSMN1; SMN2MGLL
SCHEMBL6477751 0.70 ABCB1 (0.63) ABCB1KDM4EMEN1MAPTKMT2A
SCHEMBL6477745 0.70 ABCB1 (0.63) ABCB1KDM4EMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6478372 0.69 ABCB1 (0.46) ABCB1MAPTSMN1; SMN2

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 2911/4885CTSB 2162/4885JAK1 1441/4885

“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.