SCHEMBL11894740

SCHEMBL11894740

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.47
▸ ALDH1A1 P00352 10/20 0.47
▸ POLB P06746 9/20 0.47
▸ L3MBTL1 Q9Y468 8/20 0.47
▸ TDP1 Q9NUW8 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ HPGD P15428 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ GAA P10253 3/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ESR2 Q92731 2/20 0.45
▸ PPARG P37231 2/20 0.45

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
SCHEMBL11895010 0.90 ALDH1A1 (0.49) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894698 0.88 KDM4E (0.49) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894892 0.88 KDM4E (0.57) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894714 0.87 POLB (0.61) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894702 0.86 KDM4E (0.54) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894742 0.78 ALDH1A1 (0.43) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894888 0.77 CTDSP1 (0.48) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11894507 0.77 POLB (0.50) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11895159 0.77 MCL1 (0.49) KDM4EALDH1A1POLBL3MBTL1TDP1
SCHEMBL11895125 0.76 POLB (0.54) KDM4EALDH1A1POLBL3MBTL1TDP1

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 2321/4885ALDH1A1 2046/4885POLB 2858/4885

“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.

Send feedback