SCHEMBL3029406

SCHEMBL3029406

COc1ccc([C@@H]2c3ccccc3C(=O)N2CCC(N)=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
QPCT Q16769 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 4/20 0.47
KDM4E B2RXH2 3/20 0.47
FPR1 P21462 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL3029407 1.00 MAPT (0.50) MAPTHSD17B10GAANPSR1RAB9A
SCHEMBL13407482 0.72 MAPT (0.51) MAPTGAATP53QPCTALDH1A1
SCHEMBL9893329 0.72 TOP1 (0.52) GAAALDH1A1HTTALOX15KDM4E
SCHEMBL9893246 0.69 MEN1 (0.45) MAPTHSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL18568866 0.67 GAA (0.68) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL12732961 0.65 QPCT (0.61) MAPTHSD17B10GAANPSR1RAB9A
SCHEMBL12732963 0.65 QPCT (0.61) MAPTHSD17B10GAANPSR1RAB9A
SCHEMBL17366180 0.65 GAA (0.55) MAPTGAANPSR1ALDH1A1HTT
SCHEMBL22781472 0.65 GAA (0.55) MAPTGAARAB9ATP53ALDH1A1
SCHEMBL8273178 0.65 GAA (0.55) MAPTGAATP53ALDH1A1SMN1; SMN2

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-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 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-20100216843-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 MAPT 494/4885HSD17B10 3129/4885GAA 1926/4885

“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.