SCHEMBL6798100

SCHEMBL6798100

CCCCCCCCc1ccc(Nc2nc(N3CCN(c4ccccn4)CC3)nc(NC)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR1A P08908 4/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
DRD3 P35462 3/20 0.47
HTR2C P28335 1/20 0.47
DRD4 P21917 2/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HRH1 P35367 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6790579 0.99 MEN1 (0.51) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL6783933 0.92 MEN1 (0.46) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3238433 0.79 DHFR (0.42) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL3244007 0.78 MEN1 (0.49) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3247897 0.78 MEN1 (0.49) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3242750 0.78 MEN1 (0.49) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3245969 0.77 MEN1 (0.49) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3244053 0.77 KDM4E (0.46) KDM4EMAPTHTTPOLBHPGD
SCHEMBL3247999 0.75 TNF (0.47) KDM4EMAPTHTTPOLBHPGD
SCHEMBL6791708 0.75 KDM4E (0.42) MEN1KMT2AKDM4EMAPTHTT

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 MEN1 4030/4885KMT2A 4104/4885HTR1A 45/4885

“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.