SCHEMBL6487828

SCHEMBL6487828

COC(=O)c1ccc(-c2c(C=O)c3cccnc3n2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
TNKS O95271 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 3/20 0.39
FGFR1 P11362 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ERN1 O75460 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6478694 0.87 ABCB1 (0.45) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6478691 0.87 ABCB1 (0.45) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3223827 0.81 ALDH1A1 (0.61) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL30436019 0.72 ELANE (0.48) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL25217083 0.72 ELANE (0.48) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6491682 0.71 ALOX15 (0.52) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6478007 0.71 ABCB1 (0.48) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6478016 0.71 ABCB1 (0.48) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL25239137 0.71 FEN1 (0.46) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL29364884 0.71 FEN1 (0.46) KDM4EMAPTSMN1; SMN2LMNAALDH1A1

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 KDM4E 756/4885MAPT 4750/4885SMN1; SMN2 3783/4885

“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.