SCHEMBL11894570

SCHEMBL11894570

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.46
▸ NPY5R Q15761 2/20 0.42
▸ KDM4E B2RXH2 8/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PTPN2 P17706 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ PTPN5 P54829 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSPD1 P10809 1/20 0.41
▸ HSPE1 P61604 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ 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
▸ ALDH1A1 P00352 4/20 0.41
▸ CNR1 P21554 2/20 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
SCHEMBL11894947 0.91 KDM4E (0.44) CASP1NPY5RKDM4EMAPTNPSR1
SCHEMBL11895208 0.90 ALDH1A1 (0.48) KDM4EMAPTNPSR1KMT2ALMNA
SCHEMBL11894873 0.87 P4HTM (0.40) KDM4ENPSR1PTPN1KMT2AMEN1
SCHEMBL11895064 0.86 KMT2A (0.40) KDM4EKMT2AMEN1LMNAHTT
SCHEMBL11895162 0.83 CYP19A1 (0.41) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL11894968 0.83 MCL1 (0.42) —
SCHEMBL11894883 0.82 MAPT (0.45) KDM4EMAPTKMT2AMEN1TDP1
SCHEMBL11894808 0.81 ALDH1A1 (0.46) KDM4EMAPTNPSR1MAPK1KMT2A
SCHEMBL11894653 0.81 KDM4E (0.46) CASP1KDM4EMAPTNPSR1MAPK1
SCHEMBL11895186 0.80 PHGDH (0.41) KDM4EKMT2ALMNASMN1; SMN2ALDH1A1

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 CASP1 2612/4885NPY5R 249/4885KDM4E 2321/4885

“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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