SCHEMBL3432555

SCHEMBL3432555

c1cc(C(c2ccncc2)N2CCNCCNCC2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP2D6 P10635 1/20 0.59
CYP19A1 P11511 1/20 0.59
OPRD1 P41143 14/20 0.50
SLC6A4 P31645 1/20 0.50
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50
PLD1 Q13393 1/20 0.50
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRM1 P35372 2/20 0.40

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
SCHEMBL5549076 0.91 MEN1 (0.79) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL7101378 0.88 CYP19A1 (0.81) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL11193886 0.88 CYP2D6 (0.56) MEN1KMT2ACYP2D6CYP19A1OPRD1
Piperazine SCHEMBL28229145 0.80 MEN1 (0.96) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL27485345 0.80 MEN1 (0.96) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL13600073 0.79 CHRM2 (0.53) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL2794662 0.78 MEN1 (1.00) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL219432 0.78 MEN1 (1.00) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL15093686 0.77 MEN1 (0.62) MEN1KMT2ACYP2D6CYP19A1OPRD1
SCHEMBL9251253 0.76 MEN1 (0.72) MEN1KMT2ACYP2D6CYP19A1OPRD1

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-8945514-B2 Contrast agents for magnetic resonance imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-02-03 US disclosed
EP-1729818-B8 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING CENTRE NAT RECH SCIENT (FR) 2010-02-17 EP disclosed
EP-1729818-B1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING CENTRE NAT RECH SCIENT (FR) 2009-09-23 EP disclosed
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-20 US disclosed
EP-1729818-A2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING Centre National de la Recherche Scientifique (CNRS) (FR) 2006-12-13 EP disclosed
WO-2005094903-A2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-10-13 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 (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-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging MAG, SLC40A1, FABP7 MEN1 12/4885KMT2A 1289/4885CYP2D6 4256/4885

“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.