SCHEMBL2780427

SCHEMBL2780427

S=C(S)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH1 P35367 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 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
SCHEMBL289899 0.82 HRH1 (0.53) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4283597 0.81 RAB9A (0.47) SMN1; SMN2RAB9ANPC1MAOAMAOB
SCHEMBL6400020 0.81 RAB9A (0.47) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL18160699 0.80 CHRM2 (0.53) SMN1; SMN2RAB9AMAOAMAOBPOLB
SCHEMBL29728447 0.79 RAB9A (0.54) SMN1; SMN2RAB9ACA1CA2NPC1
SCHEMBL30940202 0.79 HRH1 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL9129826 0.79 RAB9A (0.54) SMN1; SMN2RAB9ACA1CA2NPC1
SCHEMBL7358602 0.79 CA12 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL6237462 0.79 HRH1 (0.50) SMN1; SMN2RAB9ACA12CA1CA2
SCHEMBL6988794 0.79 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 US claimed
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP claimed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP claimed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO claimed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 US claimed
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 US disclosed
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP disclosed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP disclosed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO disclosed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 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 (1 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-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 SMN1; SMN2 2575/4885RAB9A 4047/4885CA12 132/4885

“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.