SCHEMBL3432550

SCHEMBL3432550

c1ccc(CN2CCNCCN(Cc3ccccn3)CC2)nc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 5/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CXCR4 P61073 5/20 0.55
SIGMAR1 Q99720 1/20 0.53
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 1/20 0.52
TRPV6 Q9H1D0 1/20 0.52
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL17485679 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
SCHEMBL209471 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
SCHEMBL4903097 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
Piperazine SCHEMBL28106509 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
Hydrochloric Acid SCHEMBL30163937 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
Hydrochloric Acid SCHEMBL27587923 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
SCHEMBL3387061 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
Hydrochloric Acid SCHEMBL1899181 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
SCHEMBL3383287 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1TSHRALOX15CYP1A2
Hydrochloric Acid SCHEMBL29250334 0.95 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRALOX15CYP1A2

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 12 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
US-8945514-B2 Contrast agents for magnetic resonance imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-02-03 US disclosed
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
US-20070218010-A1 Contrast Agents for Magnetic Resonance Imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-20 US 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
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed
EP-1199402-A2 Process for delignifying and/or bleaching fibrous material Degussa AG (DE) 2002-04-24 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 (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 ALDH1A1 2554/4885L3MBTL1 3320/4885TSHR 1709/4885

“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.