SCHEMBL9304589

SCHEMBL9304589

CNC(=O)c1ccc2[nH]c(S)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
PLK1 P53350 1/20 0.46
THRB P10828 1/20 0.46
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHEK2 O96017 3/20 0.43
PLAU P00749 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
RIPK1 Q13546 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC2 Q92769 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL9304604 0.88 CHEK2 (0.54) AURKAPLK1TDP1CHEK2SMN1; SMN2
SCHEMBL13306080 0.83 TDP1 (0.53) AURKAPLK1THRBTLR8TLR7
SCHEMBL13080216 0.83 KIF11 (0.42) TDP1
SCHEMBL13085935 0.82 AURKA (0.47) AURKAPLK1THRBTLR8TLR7
SCHEMBL6217364 0.82 KDM4E (0.50) SMN1; SMN2
SCHEMBL14093926 0.81 RAB9A (0.36) AURKAPLK1TDP1CHEK2SMN1; SMN2
SCHEMBL766092 0.81 TDP1 (0.49) AURKATHRBTDP1CHEK2SMN1; SMN2
SCHEMBL13080215 0.80 HSP90AA1 (0.34) AURKATDP1CHEK2SMN1; SMN2HDAC6
SCHEMBL16134556 0.80 CHEK2 (0.46) CHEK2
SCHEMBL30483272 0.79 TLR8 (0.50) AURKAPLK1THRBTLR8TLR7

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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 WO disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 AURKA 2184/4885PLK1 1463/4885THRB 4841/4885

“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.