SCHEMBL11894410

SCHEMBL11894410

COC(=O)c1cc(-c2ccco2)nc2ccc(N)c(/N=N/c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.45
▸ POLB P06746 9/20 0.45
▸ TDP1 Q9NUW8 9/20 0.45
▸ L3MBTL1 Q9Y468 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ESR1 P03372 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 7/20 0.45
▸ RECQL P46063 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MCL1 Q07820 3/20 0.45
▸ BLM P54132 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ UBE2I P63279 10/20 0.44

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
SCHEMBL11894413 1.00 KDM4E (0.45) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11894885 0.75 KDM4E (0.56) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11894636 0.74 KDM4E (0.53) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11894507 0.73 POLB (0.50) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11895160 0.70 KDM4E (0.44) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11894860 0.70 EIF4A1 (0.53) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL2266020 0.68 ALDH1A1 (0.58) KDM4EPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL2266018 0.68 ALDH1A1 (0.58) KDM4EPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL17147462 0.67 ALDH1A1 (0.59) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL17137841 0.67 ALDH1A1 (0.82) KDM4EPOLBTDP1L3MBTL1ALDH1A1

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 KDM4E 2321/4885POLB 2858/4885TDP1 3847/4885

“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.

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