SCHEMBL11894698

SCHEMBL11894698

O=C(O)c1cc(-c2ccco2)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.49
▸ L3MBTL1 Q9Y468 9/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ TDP1 Q9NUW8 8/20 0.49
▸ POLB P06746 7/20 0.49
▸ MAPT P10636 7/20 0.49
▸ RECQL P46063 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ HPGD P15428 6/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MCL1 Q07820 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ GAA P10253 4/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PPARG P37231 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 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
SCHEMBL11894892 0.90 KDM4E (0.57) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11894714 0.89 POLB (0.61) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11894742 0.89 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11894702 0.89 KDM4E (0.54) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11894740 0.88 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11894978 0.84 NOTUM (0.38) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL11895039 0.84 DHODH (0.40) ALDH1A1MEN1KMT2AGAA
SCHEMBL11894630 0.82 GAA (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11894643 0.82 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11894650 0.82 DHODH (0.41) ALDH1A1TDP1POLBMAPTHSD17B10

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 2321/4885L3MBTL1 3943/4885ALDH1A1 2046/4885

“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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