SCHEMBL13596142

SCHEMBL13596142

CN(C)c1cc(Nc2ccc(SC(F)(F)F)c(C(F)(F)F)c2)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.43
GALR2 O43603 5/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3240505 0.90 MAPT (0.39) GALR1GALR2MAPTLMNAGAA
SCHEMBL3242775 0.87 GALR1 (0.44) GALR1GALR2MAPTLMNAGAA
SCHEMBL8096610 0.82 MAPT (0.53) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3247212 0.81 GALR1 (0.47) GALR1GALR2MAPTLMNAGAA
SCHEMBL3247614 0.80 MAPT (0.45) GALR1GALR2MAPTLMNAGAA
SCHEMBL8254119 0.80 KDM4E (0.48) GALR1GALR2MAPTLMNAGAA
SCHEMBL3246542 0.79 L3MBTL1 (0.47) GALR1GALR2MAPTLMNAGAA
SCHEMBL3792070 0.79 KDM4E (0.51) GALR1GALR2MAPTLMNAALDH1A1
SCHEMBL3247965 0.79 MAPT (0.42) GALR1GALR2MAPTLMNAGAA
SCHEMBL3240653 0.79 ALDH1A1 (0.48) GALR1GALR2MAPTLMNAALDH1A1

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 2 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

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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 GALR1 3/4885GALR2 2/4885MAPT 3040/4885

“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.