SCHEMBL13596199

SCHEMBL13596199

Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccn4)CC3)n2)cc1Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
PHGDH O43175 1/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
GALR2 O43603 2/20 0.36
ALDH1A1 P00352 4/20 0.35
GALR1 P47211 2/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL3247614 0.87 MAPT (0.45) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL8092857 0.85 MAPT (0.51) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3240471 0.84 MAPT (0.43) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL8254119 0.83 KDM4E (0.48) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3240352 0.83 GALR2 (0.46) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3246542 0.83 L3MBTL1 (0.47) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3240653 0.82 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3262025 0.82 KDM4E (0.43) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL6350943 0.81 GALR2 (0.42) KDM4EMAPTSMN1; SMN2LMNAHPGD
SCHEMBL3244443 0.81 PHGDH (0.47) KDM4EMAPTSMN1; SMN2LMNAHPGD

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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 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 (2 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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 KDM4E 4396/4885MAPT 3040/4885SMN1; SMN2 3933/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 KDM4E 4231/4885MAPT 2990/4885SMN1; SMN2 3560/4885

“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.