SCHEMBL6491682

SCHEMBL6491682

COC(=O)c1ccc(-c2cc3cccnc3n2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STAT3 P40763 1/20 0.42
SLC22A12 Q96S37 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
ALDH1A2 O94788 1/20 0.42

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
SCHEMBL4781475 0.80 NPC1 (0.49) ALOX15KDM4EMAPTLMNASMN1; SMN2
SCHEMBL4809547 0.79 HTT (0.51) ALOX15HTTKDM4EMAPTLMNA
SCHEMBL13940626 0.79 KMT2A (0.59) KDM4EMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1423541 0.78 L3MBTL1 (0.49) ALOX15HTTKDM4EMAPTLMNA
SCHEMBL3230114 0.77 CCNB2 (0.63) KDM4EMAPTSMN1; SMN2NPC1CYP19A1
SCHEMBL10366831 0.76 CCNB2 (0.46) KDM4ENPC1POLBALDH1A1MEN1
SCHEMBL6479634 0.76 AHR (0.50) ALOX15HTTKDM4ELMNAPOLB
SCHEMBL6478532 0.76 CCNB2 (0.49) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL1375898 0.75 AHR (0.61) ALOX15HTTKDM4EALDH1A1MEN1
SCHEMBL6488660 0.75 ATP1A1 (0.46) KDM4EMAPTSMN1; SMN2NPC1ALDH1A1

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 ALOX15 4160/4885HTT 2388/4885KDM4E 756/4885

“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.