SCHEMBL6492885

SCHEMBL6492885

CCOC(=O)c1c(-c2ccccc2)n(O)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL6488291 0.88 ALDH1A1 (0.58) TSHRL3MBTL1HTTHSD17B10ALDH1A1
SCHEMBL8832175 0.82 IDO1 (0.44) HTTHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6688529 0.81 LMNA (0.45) TSHRL3MBTL1HSD17B10ALDH1A1HPGD
SCHEMBL27158305 0.74 ALDH1A1 (0.50) TSHRL3MBTL1HTTHSD17B10ALDH1A1
SCHEMBL29913109 0.73 ALDH1A1 (0.52) TSHRL3MBTL1HTTHSD17B10ALDH1A1
SCHEMBL27158579 0.73 ALDH1A1 (0.52) TSHRL3MBTL1HTTHSD17B10ALDH1A1
SCHEMBL6488838 0.72 KDM4E (0.59) HSD17B10ALDH1A1HPGDKDM4EGAA
SCHEMBL25948711 0.70 RAD52 (0.42) TSHRHTTALDH1A1KDM4EGAA
SCHEMBL6489316 0.70 ALDH1A1 (0.48) L3MBTL1HTTHSD17B10ALDH1A1HPGD
SCHEMBL1522907 0.69 KDM4E (0.57) TSHRL3MBTL1HTTHSD17B10ALDH1A1

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 2 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 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 TSHR 278/4885L3MBTL1 1514/4885HTT 2388/4885

“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.