SCHEMBL6706248

SCHEMBL6706248

Nc1cnc(N2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
BCL2L1 Q07817 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
SIGMAR1 Q99720 1/20 0.56
DRD4 P21917 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CASP1 P29466 1/20 0.54
CASP5 P51878 1/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
HTR7 P34969 1/20 0.52
GRM2 Q14416 1/20 0.52

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
SCHEMBL28511718 0.84 ALDH1A1 (0.60) GAABCL2L1ALDH1A1TSHRSIGMAR1
SCHEMBL8357217 0.83 ALDH1A1 (0.82) GAAALDH1A1TSHRSIGMAR1DRD4
SCHEMBL2744707 0.82 ALDH1A1 (0.61) GAABCL2L1ALDH1A1SIGMAR1DRD4
SCHEMBL15807699 0.81 ALDH1A1 (0.63) GAABCL2L1ALDH1A1TSHRSIGMAR1
SCHEMBL3919241 0.81 CHRM2 (0.62) BCL2L1ALDH1A1TSHRSIGMAR1DRD4
SCHEMBL6712881 0.80 ALDH1A1 (0.50) GAABCL2L1ALDH1A1DRD4MEN1
SCHEMBL16653789 0.79 HDAC6 (0.57) BCL2L1ALDH1A1TSHRKDM4ELMNA
SCHEMBL6706025 0.79 ALDH1A1 (0.71) BCL2L1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2744864 0.77 HRH3 (0.60) GAABCL2L1ALDH1A1SIGMAR1DRD4
SCHEMBL1876523 0.76 MEN1 (0.87) GAAALDH1A1TSHRDRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 US disclosed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO 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-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors APOB, APOL1, TTR GAA 1007/4885BCL2L1 365/4885ALDH1A1 2752/4885

“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.