SCHEMBL6011901

SCHEMBL6011901

CNNC(=O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CACNA1G O43497 1/20 0.35
CYP3A4 P08684 2/20 0.34
KAT6A Q92794 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL6011699 0.89 KMT2A (0.45) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011552 0.88 CNR2 (0.36) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011622 0.87 CACNA1G (0.41) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011525 0.87 NAMPT (0.38) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011575 0.87 LMNA (0.44) SMN1; SMN2ALDH1A1LMNADRD2DRD3
SCHEMBL6011666 0.86 P2RX7 (0.43) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011605 0.86 CXCR3 (0.47) HDAC1SMN1; SMN2ALDH1A1LMNACNR1
SCHEMBL6011655 0.86 MRGPRX4 (0.43) NPC1RAB9AALDH1A1POLBCNR1
SCHEMBL6011784 0.86 HDAC1 (0.40) HDAC1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6011800 0.85 TMEM97 (0.44) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 13 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 claimed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US claimed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US claimed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US claimed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed
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 HDAC1 3870/4885SMN1; SMN2 2491/4885NPC1 205/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A HDAC1 4130/4885SMN1; SMN2 2735/4885NPC1 427/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 HDAC1 3169/4885SMN1; SMN2 4391/4885NPC1 1101/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 HDAC1 1695/4885SMN1; SMN2 3616/4885NPC1 686/4885

“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.