SCHEMBL6700167

SCHEMBL6700167

CC(N)C(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MAPT P10636 9/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 9/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
PKM P14618 4/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
XIAP P98170 1/20 0.52
TP53 P04637 7/20 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
SCHEMBL9891915 0.88 TSHR (0.66) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL659214 0.80 TSHR (0.71) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL7955024 0.80 TSHR (0.67) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL13035816 0.76 TSHR (0.67) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL6164890 0.76 ALDH1A1 (0.58) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL24026375 0.76 PARP1 (0.67) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL13015658 0.76 TSHR (0.66) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL11220484 0.75 TSHR (0.65) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL11096876 0.75 TSHR (0.56) TSHRMAPTPOLBLMNASMN1; SMN2
SCHEMBL13278295 0.74 TSHR (0.64) TSHRMAPTPOLBLMNASMN1; 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-20040068119-A1 Process for resolution of 2-amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole and compounds therefor POSPISILIK KAREL (CZ) 2004-04-08 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-20040068119-A1 Process for resolution of 2-amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole and compounds therefor NOTUM, SLC5A6, WEE2 TSHR 998/4885MAPT 112/4885POLB 2205/4885

“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.