SCHEMBL5652402

SCHEMBL5652402

CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 6/20 1.00
TAOK3 Q9H2K8 5/20 1.00
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PPARG P37231 1/20 0.55
EPHX2 P34913 1/20 0.53
CA2 P00918 1/20 0.51
SCN2A Q99250 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
RAB9A P51151 1/20 0.47
NAMPT P43490 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL31458332 1.00 TAOK1 (1.00) TAOK1TAOK3ALDH1A1HPGDMAPT
SCHEMBL14422176 0.85 TAOK1 (0.73) TAOK1TAOK3ALDH1A1MAPTLMNA
SCHEMBL31458328 0.84 TAOK1 (1.00) TAOK1TAOK3ALDH1A1PPARGEPHX2
SCHEMBL5652251 0.84 TAOK1 (1.00) TAOK1TAOK3ALDH1A1PPARGEPHX2
SCHEMBL5654217 0.78 TAOK1 (0.63) TAOK1TAOK3MAPTRAB9A
SCHEMBL5652548 0.76 TAOK1 (0.61) TAOK1TAOK3HPGDMAPTLMNA
SCHEMBL28643598 0.75 ALDH1A1 (0.72) TAOK1TAOK3ALDH1A1HPGDMAPT
SCHEMBL4521046 0.74 ALDH1A1 (1.00) TAOK1TAOK3ALDH1A1HPGDMAPT
SCHEMBL5654038 0.73 TAOK1 (1.00) TAOK1TAOK3ALDH1A1HPGDMAPT
SCHEMBL4503669 0.73 HPGD (0.79) TAOK1TAOK3ALDH1A1HPGDMAPT

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
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US claimed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
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 TAOK1 1/4885TAOK3 2/4885ALDH1A1 4424/4885

“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.