SCHEMBL6492162

SCHEMBL6492162

CNc1cccc(C(=C2CN(C(c3ccccc3)c3ccccc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
OPRD1 P41143 2/20 0.36
NPY2R P49146 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC1 Q13547 1/20 0.35
CBLB Q13191 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5077586 0.90 CYP3A4 (0.36) LMNANPSR1TP53ALDH1A1KMT2A
SCHEMBL5082007 0.86 MAOB (0.45) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5075554 0.84 OPRM1 (0.43) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL7121634 0.84 KMT2A (0.52) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6011691 0.84 KMT2A (0.41) LMNANPSR1TP53ALDH1A1KMT2A
SCHEMBL5075713 0.83 KMT2A (0.40) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5078271 0.83 CACNA2D1 (0.42) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5075746 0.83 USP2 (0.48) LMNANPSR1TP53ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6011673 0.83 KMT2A (0.51) NPSR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5077606 0.83 ALDH1A1 (0.42) NPSR1TP53ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP 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
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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 (3 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 LMNA 3302/4885NPSR1 2535/4885TP53 3016/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 LMNA 4140/4885NPSR1 2555/4885TP53 2422/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 LMNA 3266/4885NPSR1 3748/4885TP53 3771/4885

“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.