SCHEMBL8104640

SCHEMBL8104640

CN(C)c1cc(Nc2ccc(Cl)c(Cl)c2Cl)nc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.41
GALR1 P47211 2/20 0.41
LCK P06239 3/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CETP P11597 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL3246107 0.88 CASP1 (0.44) LMNAMAPTNPSR1HTTSMN1; SMN2
SCHEMBL8403164 0.83 HTT (0.42) GALR2GALR1LMNAMAPTHTT
SCHEMBL3240502 0.78 KMT2A (0.48) GALR2GALR1LMNAMAPTRAB9A
SCHEMBL1124030 0.76 MAPT (0.45) LMNAMAPTNPSR1HTTRAB9A
SCHEMBL8254234 0.75 MAPT (0.47) GALR2GALR1LCKLMNAMAPT
SCHEMBL8253240 0.75 LMNA (0.47) GALR2GALR1LCKLMNAMAPT
SCHEMBL8104636 0.74 GALR2 (0.50) GALR2GALR1LMNAMAPTHTT
SCHEMBL8263323 0.74 GALR2 (0.59) GALR2GALR1MAPTPOLBMEN1
SCHEMBL8088683 0.74 KDM4E (0.47) LMNAMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3790349 0.73 EPHX2 (0.47) LMNAMAPTSMN1; SMN2KDM4EALDH1A1

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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 GALR2 2/4885GALR1 3/4885LCK 612/4885

“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.