SCHEMBL6791708

SCHEMBL6791708

CNc1nc(N2CCN(c3ccccn3)CC2)nc(Nc2ccc(C)c(Nc3ccccn3)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
GALR2 O43603 2/20 0.40
GALR1 P47211 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 1/20 0.38
BRAF P15056 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 3/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KHK P50053 1/20 0.37
PHGDH O43175 1/20 0.37

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
SCHEMBL3240352 0.80 GALR2 (0.46) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL3244053 0.79 KDM4E (0.46) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL3243362 0.78 KDM4E (0.47) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL3243368 0.78 MAPT (0.54) KDM4EMAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL3247999 0.78 TNF (0.47) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL6783933 0.78 MEN1 (0.46) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL3244442 0.76 GALR2 (0.50) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL6790579 0.76 MEN1 (0.51) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL6798100 0.75 MEN1 (0.50) KDM4EMAPTTSHRHPGDHSD17B10
SCHEMBL3246409 0.75 KDM4E (0.43) KDM4EMAPTTSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 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-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 KDM4E 3968/4885MAPT 3133/4885TSHR 267/4885

“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.