SCHEMBL6011735

SCHEMBL6011735

CC(SC(C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ACP3 P15309 1/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 3/20 0.46
GAA P10253 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL1934172 0.88 TSHR (0.53) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL1935340 0.83 L3MBTL1 (0.51) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL254876 0.83 TSHR (0.61) KMT2AL3MBTL1MEN1HPGDTSHR
Hydrochloric Acid SCHEMBL667745 0.82 MEN1 (0.56) KMT2AL3MBTL1MEN1HPGDTSHR
Hydrochloric Acid SCHEMBL3861536 0.82 MEN1 (0.56) KMT2AL3MBTL1MEN1HPGDTSHR
Hydrochloric Acid SCHEMBL3829217 0.82 MEN1 (0.56) KMT2AL3MBTL1MEN1HPGDTSHR
Hydrochloric Acid SCHEMBL6359108 0.82 MEN1 (0.56) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL9026172 0.81 TSHR (0.59) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL2545597 0.80 MEN1 (0.61) KMT2AL3MBTL1MEN1HPGDTSHR
SCHEMBL6359586 0.80 TSHR (0.57) KMT2AL3MBTL1MEN1HPGDTSHR

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-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C KMT2A 3986/4885L3MBTL1 4881/4885MEN1 602/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A KMT2A 3889/4885L3MBTL1 4885/4885MEN1 893/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 KMT2A 2406/4885L3MBTL1 4871/4885MEN1 1024/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 KMT2A 4325/4885L3MBTL1 4879/4885MEN1 934/4885

“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.