SCHEMBL11894808

SCHEMBL11894808

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ PHGDH O43175 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KMT2A Q03164 7/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL11895208 0.92 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL11894653 0.89 KDM4E (0.46) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL11895186 0.86 PHGDH (0.41) ALDH1A1KDM4ELMNAPHGDHEGFR
SCHEMBL11894918 0.84 PLA2G2A (0.42) ALDH1A1KDM4EHPGDMAPTPHGDH
SCHEMBL11894666 0.82 MYC (0.43) ALDH1A1KDM4ELMNAPHGDHKMT2A
SCHEMBL11894570 0.81 CASP1 (0.46) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL11894947 0.80 KDM4E (0.44) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL11895162 0.80 CYP19A1 (0.41) ALDH1A1KDM4ELMNAHPGDEGFR
SCHEMBL11895117 0.80 PLA2G2A (0.41) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL11894683 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTKMT2A

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 2046/4885KDM4E 2321/4885LMNA 2761/4885

“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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