SCHEMBL4457780

SCHEMBL4457780

O=CNc1ccc(S)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.45
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL469386 0.86 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2A
SCHEMBL7002726 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9472659 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2A
SCHEMBL393991 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL428217 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL840514 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL1747944 0.74 ALDH1A1 (0.56) ALDH1A1LMNAIDO1MEN1KMT2A
SCHEMBL90440 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A
SCHEMBL515529 0.74 ALDH1A1 (0.56) ALDH1A1LMNAIDO1MEN1KMT2A
SCHEMBL8358411 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2A

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 21 patents — showing the first 20. 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
CN-102573480-B Triazine derivatives and their therapeutic use CALIFORNIA CAPITAL EQUITY LLC 2015-06-10 CN disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20090247554-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-10-01 US disclosed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
WO-2007117995-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-10-18 WO 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
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO 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 (3 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-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4068/4885LMNA 2516/4885IDO1 4071/4885
US-20090247554-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ALDH1A1 3886/4885LMNA 2107/4885IDO1 4124/4885
US-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 ALDH1A1 4393/4885LMNA 1878/4885IDO1 4146/4885

“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.