SCHEMBL10069116

SCHEMBL10069116

O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 1.00
▸ ALDH1A1 P00352 13/20 0.62
▸ MAPT P10636 11/20 0.62
▸ KMT2A Q03164 10/20 0.62
▸ MEN1 O00255 9/20 0.62
▸ LMNA P02545 7/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HTT P42858 5/20 0.62
▸ GAA P10253 5/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ F10 P00742 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 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
SCHEMBL10481440 0.76 TASP1 (0.61) TASP1MAPTKMT2AMEN1LMNA
SCHEMBL1347532 0.74 ALDH1A1 (0.62) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5180828 0.74 MAPT (0.61) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL14096502 0.74 ALDH1A1 (0.72) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16553806 0.73 MAPT (0.66) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL1346518 0.73 ALDH1A1 (0.75) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL28640537 0.72 ALDH1A1 (0.80) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13956784 0.72 PRSS12 (0.64) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL13806864 0.71 HDAC1 (0.66) TASP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5935569 0.71 MAPT (0.79) ALDH1A1MAPTKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501811-B2 TASPASE1 inhibitors and their uses WASHINGTON UNIVERSITY (US) 2013-08-06 — — US disclosed
US-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES THE WASHINGTON UNIVERSITY (US) 2012-01-19 — — 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-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES RNASE1, TASP1, PPA1 TASP1 2/4885ALDH1A1 3123/4885MAPT 4457/4885

“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.

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