SCHEMBL11894885

SCHEMBL11894885

COC(=O)c1cc(-c2ccco2)nc2ccc(N)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.56
▸ POLB P06746 12/20 0.56
▸ TDP1 Q9NUW8 9/20 0.56
▸ MAPT P10636 9/20 0.56
▸ ALDH1A1 P00352 9/20 0.56
▸ RECQL P46063 8/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ HPGD P15428 7/20 0.56
▸ L3MBTL1 Q9Y468 6/20 0.56
▸ ESR1 P03372 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ PPARG P37231 2/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.56
▸ NCOR2 Q9Y618 2/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ ATG4B Q9Y4P1 1/20 0.56

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
SCHEMBL11894860 0.82 EIF4A1 (0.53) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL15919505 0.76 EPRS1 (0.75) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11894410 0.75 KDM4E (0.45) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL11894413 0.75 KDM4E (0.45) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL11894679 0.75 KDM4E (0.68) KDM4EPOLBMAPTALDH1A1L3MBTL1
SCHEMBL2726214 0.75 CFTR (0.58) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL13912480 0.74 KDM4E (0.73) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL11894636 0.73 KDM4E (0.53) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL3331112 0.73 UBE2I (0.78) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL11894507 0.73 POLB (0.50) KDM4EPOLBTDP1MAPTALDH1A1

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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