SCHEMBL3105639

SCHEMBL3105639

Cc1cccc(N/N=C(/Cl)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 5/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 1/20 0.49
GAA P10253 3/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.43
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL3105641 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL3467641 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL9068415 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL9068410 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL2487154 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL1998080 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL8060308 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL3941339 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1
SCHEMBL20893356 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1
SCHEMBL3941336 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1

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
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 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 (2 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 SMN1; SMN2 1071/4885MAPT 1373/4885MAPK1 2165/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST SMN1; SMN2 4675/4885MAPT 1228/4885MAPK1 1814/4885

“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.