SCHEMBL4864503

SCHEMBL4864503

CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)Cn1c(-c2ccccc2)noc1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSK P43235 2/20 0.37
ADAM17 P78536 2/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
CCR1 P32246 1/20 0.36
CASP3 P42574 2/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL4866338 1.00 KMT2A (0.45) KMT2AALDH1A1TSHRUSP2MAPT
SCHEMBL4862932 0.95 KMT2A (0.41) KMT2AALDH1A1TSHRUSP2MAPT
SCHEMBL4868849 0.95 KMT2A (0.41) KMT2AALDH1A1TSHRUSP2MAPT
SCHEMBL4871059 0.92 KDM4E (0.39) KMT2AALDH1A1CTSKADAM17KDM4E
SCHEMBL4869799 0.92 KDM4E (0.39) KMT2AALDH1A1CTSKADAM17KDM4E
SCHEMBL14157985 0.90 CTSK (0.37) ALDH1A1CTSKADAM17TAOK1TAOK3
SCHEMBL4871089 0.84 KMT2A (0.49) KMT2AALDH1A1TSHRUSP2MAPT
SCHEMBL4867468 0.83 KMT2A (0.57) KMT2AALDH1A1TSHRUSP2MAPT
SCHEMBL4868299 0.80 MEN1 (0.45) KMT2AALDH1A1TSHRMEN1HTT
SCHEMBL4868588 0.80 MEN1 (0.45) KMT2AALDH1A1TSHRMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US claimed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-07-28 US 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-20050164954-A1 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ACIN1, CASP7, CASP10 KMT2A 4568/4885ALDH1A1 3847/4885TSHR 1500/4885

“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.