SCHEMBL11894918

SCHEMBL11894918

COC(=O)c1cc(-c2ccc(C(=O)NS(C)(=O)=O)cc2)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MYC P01106 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TP53 P04637 2/20 0.36

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
SCHEMBL11895117 0.92 PLA2G2A (0.41) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11895186 0.92 PHGDH (0.41) ALDH1A1KMT2AKDM4EPHGDHDHODH
SCHEMBL11894532 0.91 PLA2G2A (0.41) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11894653 0.88 KDM4E (0.46) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11894666 0.84 MYC (0.43) ALDH1A1MEN1KMT2AKDM4EPHGDH
SCHEMBL11894808 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EPHGDH
SCHEMBL11895142 0.84 MCL1 (0.42) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11894683 0.83 ALDH1A1 (0.43) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11894947 0.82 KDM4E (0.44) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL11894873 0.82 P4HTM (0.40) ALDH1A1MEN1KMT2AKDM4EDHODH

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 PLA2G2A 4190/4885ALDH1A1 2046/4885MEN1 2020/4885

“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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