SCHEMBL4457777

SCHEMBL4457777

O=CNc1ccccc1[S]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.46
PABPC1 P11940 1/20 0.41
KDM5A P29375 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 2/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL30527294 0.82 ALDH1A1 (0.57) TSHRALDH1A1PABPC1KDM5ARXFP1
SCHEMBL8763290 0.82 ALDH1A1 (0.57) TSHRALDH1A1PABPC1KDM5ARXFP1
SCHEMBL9800976 0.76 NPC1 (0.50) TSHRALDH1A1PABPC1NPC1RAB9A
SCHEMBL225741 0.76 NPC1 (0.50) TSHRALDH1A1PABPC1NPC1RAB9A
SCHEMBL11409022 0.74 NPC1 (0.48) TSHRALDH1A1PABPC1NPC1RAB9A
SCHEMBL6750672 0.73 TSHR (0.48) TSHRALDH1A1PABPC1KDM5ARXFP1
SCHEMBL5514299 0.73 TSHR (0.44) TSHRALDH1A1PABPC1KDM5ARXFP1
SCHEMBL1939410 0.71 GAA (0.50) TSHRALDH1A1PABPC1KDM5ANPC1
SCHEMBL1331721 0.71 LMNA (0.55) TSHRALDH1A1PABPC1KDM5AHTT
SCHEMBL1703166 0.71 TSHR (0.47) TSHRALDH1A1PABPC1KDM5ARXFP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US claimed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP claimed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO claimed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US claimed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 TSHR 1322/4885ALDH1A1 4393/4885PABPC1 3410/4885

“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.