SCHEMBL13769050

SCHEMBL13769050

S=C(Nc1ccc(S)cc1)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
NPSR1 Q6W5P4 4/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 11/20 0.60
RECQL P46063 2/20 0.54
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.49
GPR55 Q9Y2T6 1/20 0.48
HKDC1 Q2TB90 1/20 0.48

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
SCHEMBL3404054 0.81 CA2 (0.65) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL11646781 0.78 MAPT (0.72) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL3068412 0.74 MAPT (0.53) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL15512469 0.74 SMN1; SMN2 (0.51) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL11642877 0.71 ALDH1A1 (0.56) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL11643855 0.70 ALDH1A1 (0.54) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL11649348 0.69 MAPT (0.49) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL11647437 0.68 ALDH1A1 (0.49) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL7660360 0.66 MEN1 (0.49) MAPTSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL28923770 0.65 L3MBTL1 (0.60) MAPTSMN1; SMN2NPSR1HTTALDH1A1

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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 MAPT 3380/4885SMN1; SMN2 3298/4885NPSR1 2686/4885

“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.