SCHEMBL4368741

SCHEMBL4368741

CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCOCC1)C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.56
KMT2A Q03164 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
FKBP1A P62942 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4370830 1.00 TUBB1 (0.56) TUBB1KMT2ACNR2CNR1GAA
SCHEMBL4370474 0.92 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4370881 0.92 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4371556 0.91 TUBB1 (0.53) TUBB1KMT2ACNR2CNR1GAA
SCHEMBL4369934 0.91 TUBB1 (0.57) TUBB1KMT2A
SCHEMBL4373023 0.90 TUBB1 (0.61) TUBB1CNR2CNR1SMN1; SMN2
SCHEMBL57909 0.90 TUBB1 (0.61) TUBB1CNR2CNR1SMN1; SMN2
SCHEMBL88733 0.90 TUBB1 (0.61) TUBB1CNR2CNR1SMN1; SMN2
SCHEMBL4371726 0.86 TUBB1 (0.55) TUBB1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4376706 0.86 TUBB1 (0.55) TUBB1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO claimed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 US claimed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885KMT2A 1674/4885CNR2 1949/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885KMT2A 1674/4885CNR2 1949/4885

“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.