SCHEMBL11894947

SCHEMBL11894947

COC(=O)c1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPY5R Q15761 2/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CNR1 P21554 3/20 0.42
▸ LMNA P02545 5/20 0.42
▸ PLA2G2A P14555 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GPR55 Q9Y2T6 2/20 0.41
▸ PLAU P00749 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL11894653 0.91 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2ACASP1
SCHEMBL11894570 0.91 CASP1 (0.46) KDM4EALDH1A1MEN1KMT2ANPY5R
SCHEMBL11894532 0.88 PLA2G2A (0.41) KDM4EALDH1A1MEN1KMT2APLA2G2A
SCHEMBL11894668 0.87 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ACNR1
SCHEMBL11894683 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2ACASP1
SCHEMBL11895142 0.84 MCL1 (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11895208 0.83 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL11894918 0.82 PLA2G2A (0.42) KDM4EALDH1A1MEN1KMT2ACASP1
SCHEMBL11894808 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2ACNR1
SCHEMBL11894873 0.79 P4HTM (0.40) KDM4EALDH1A1MEN1KMT2ALMNA

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 2046/4885MEN1 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.

Send feedback