SCHEMBL3316342

SCHEMBL3316342

COC(=O)c1cc(Cl)sc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 2/20 0.48
GRM6 O15303 2/20 0.48
GRM5 P41594 1/20 0.48
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 4/20 0.45
NR4A2 P43354 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL22897286 0.84 GRM6 (0.59) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4266992 0.83 ALDH1A1 (0.70) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13398620 0.82 DAO (0.55) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL21962408 0.77 ALDH1A1 (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL11054131 0.75 ALDH1A1 (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL844402 0.74 DAO (0.59) MAPTHPGDKMT2AGAAKDM4E
SCHEMBL23413468 0.74 KDM4E (0.60) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3321379 0.73 KDM4E (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL167136 0.73 MAPT (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL28175472 0.73 MAPT (0.44) MAPTALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 MAPT 4405/4885ALDH1A1 2006/4885HPGD 886/4885

“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.