SCHEMBL4480982

SCHEMBL4480982

Cc1nc(Sc2ccccc2)sc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CXCL12 P48061 1/20 0.34
GAA P10253 1/20 0.34
AR P10275 1/20 0.33
DHFR P00374 2/20 0.33
TYMS P04818 2/20 0.33
PRNP P04156 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4477996 0.88 TDP1 (0.40) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4481950 0.83 PTGDR2 (0.42) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4919985 0.74 SMN1; SMN2 (0.55) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4493748 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTCYP2C9NPSR1
SCHEMBL10571444 0.73 NR1H2 (0.39) TDP1POLBL3MBTL1MAPTDHFR
SCHEMBL11588944 0.73 MAPT (0.43) TDP1POLBALDH1A1L3MBTL1MAPT
SCHEMBL3077683 0.71 SMN1; SMN2 (0.56) POLBALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL11586890 0.70 PPARG (0.42) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11589506 0.68 POLB (0.44) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13043591 0.68 TDP1 (0.41) TDP1SMN1; SMN2L3MBTL1CYP1A2CYP2C19

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
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R TDP1 3937/4885POLB 3675/4885ALDH1A1 1837/4885

“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.