SCHEMBL11894682

SCHEMBL11894682

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.45
▸ POLB P06746 10/20 0.45
▸ HPGD P15428 9/20 0.45
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ MCL1 Q07820 3/20 0.45
▸ KDM4E B2RXH2 13/20 0.45
▸ HSD17B10 Q99714 7/20 0.45
▸ TSHR P16473 3/20 0.45
▸ USP2 O75604 3/20 0.45
▸ MAPT P10636 7/20 0.43
▸ TDP1 Q9NUW8 6/20 0.43
▸ L3MBTL1 Q9Y468 6/20 0.43
▸ RECQL P46063 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 5/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL11895125 0.91 POLB (0.54) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894507 0.91 POLB (0.50) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894742 0.90 ALDH1A1 (0.43) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894702 0.90 KDM4E (0.54) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11895010 0.88 ALDH1A1 (0.49) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894930 0.82 KDM4E (0.46) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894892 0.80 KDM4E (0.57) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11895159 0.79 MCL1 (0.49) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894714 0.79 POLB (0.61) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL11894698 0.79 KDM4E (0.49) ALDH1A1POLBHPGDMEN1KMT2A

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 ALDH1A1 2046/4885POLB 2858/4885HPGD 1576/4885

“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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