SCHEMBL6086161

SCHEMBL6086161

Cc1ccc(S(=O)(=O)OC(C(=N)N)C(N)Nc2cc(C)c([N+](=O)[O-])cn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
PAX8 Q06710 1/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATIC P31939 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5094693 0.85 RAB9A (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6087081 0.82 ALDH1A1 (0.34) ALDH1A1PAX8MAPTCYP1A2CYP2C19
SCHEMBL5093456 0.81 ALDH1A1 (0.34) PKMALDH1A1KDM4EPAX8POLB
SCHEMBL5094494 0.77 KDM4E (0.42) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL5099581 0.77 ALDH1A1 (0.40) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL5095223 0.73 TAAR1 (0.34) ALDH1A1KDM4EMAPTCYP2C19KMT2A
SCHEMBL5095054 0.73 KDM4E (0.49) PKMALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL5092352 0.69 RAB9A (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL29197557 0.68 ALDH1A1 (0.41) PKMALDH1A1KDM4EPOLBRAB9A
SCHEMBL5100883 0.67 MAPT (0.45) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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 (2 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 369/4885ALDH1A1 3522/4885KDM4E 2320/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885ALDH1A1 3532/4885KDM4E 2567/4885

“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.