SCHEMBL6011650

SCHEMBL6011650

SCCc1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.68
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.44
CNR1 P21554 1/20 0.44
HTT P42858 2/20 0.43
GGPS1 O95749 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
DAO P14920 1/20 0.42
CYP2A13 Q16696 1/20 0.42

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
SCHEMBL11621292 0.85 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1802752 0.81 IDO1 (1.00) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL7020135 0.79 IDO1 (0.58) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL29587149 0.79 IDO1 (0.58) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL7365820 0.78 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL9174310 0.78 IDO1 (0.42) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11292184 0.78 CYP3A4 (0.48) IDO1CYP3A4MAPK1SMN1; SMN2HTT
SCHEMBL1808181 0.78 IDO1 (0.57) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1779915 0.77 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL16404690 0.77 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9MAPK1

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 7 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
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 EP 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 IDO1 529/4885CYP1A2 26/4885CYP3A4 68/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A IDO1 723/4885CYP1A2 31/4885CYP3A4 71/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 IDO1 911/4885CYP1A2 8/4885CYP3A4 15/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 IDO1 391/4885CYP1A2 14/4885CYP3A4 40/4885

“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.