SCHEMBL10077968

SCHEMBL10077968

NC(=S)c1ccc(OC=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP10 Q53GL7 11/20 0.39
PARP3 Q9Y6F1 1/20 0.39
PARP4 Q9UKK3 2/20 0.39
PARP15 Q460N3 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
AOC3 Q16853 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
SCHEMBL9633891 0.81 PARP10 (0.61) PARP10PARP3PARP4PARP15ALDH1A1
SCHEMBL12556293 0.79 MAPT (0.39) PARP10PARP4CA1CA2PARP1
SCHEMBL6454577 0.76 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6054668 0.74 CA1 (0.56) SMN1; SMN2PARP10PARP15ALDH1A1KMT2A
SCHEMBL2206586 0.74 HTT (0.62) HTTSMN1; SMN2PLAU
SCHEMBL25512146 0.73 CA1 (0.39) SMN1; SMN2PARP10PARP3PARP4PARP15
Formic Acid Phenyl Ester SCHEMBL4873074 0.73 PARP10 (0.37) PARP10ALDH1A1KMT2ACA1CA2
SCHEMBL11306924 0.72 MAPT (0.61) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL201860 0.71 CA1 (0.61) HTTSMN1; SMN2PARP10PARP4ALDH1A1
SCHEMBL13049149 0.71 HTT (0.45) HTTSMN1; SMN2PARP10PARP4PARP15

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-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2011-06-16 US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 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-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 HTT 1626/4885SMN1; SMN2 1423/4885PARP10 2188/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC HTT 2657/4885SMN1; SMN2 4347/4885PARP10 3490/4885

“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.