SCHEMBL5193757

SCHEMBL5193757

NC(=O)CNC1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HTT P42858 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 3/20 0.54
EPHX1 P07099 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
TAS1R2 Q8TE23 3/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL7144293 0.91 SCN3A (0.56) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL7144288 0.91 SCN3A (0.56) ALDH1A1HTTKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL195248 0.90 SCN3A (0.55) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL5901234 0.87 HTT (0.61) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL11058260 0.85 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL9493215 0.83 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL9494469 0.83 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL9492819 0.83 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL8249322 0.83 ALDH1A1 (0.57) ALDH1A1HTTKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL9653456 0.82 ALDH1A1 (0.60) ALDH1A1HTTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678121-A4 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2007-07-25 EP claimed
EP-1678121-A2 TAO KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-07-12 EP claimed
WO-2005040355-A2 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-05-06 WO claimed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 ALDH1A1 4424/4885HTT 4318/4885KMT2A 2240/4885

“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.