SCHEMBL4366902

SCHEMBL4366902

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCN(Cc2ccccc2)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.59
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FAAH O00519 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4372569 0.95 TUBB1 (0.55) TUBB1KMT2AMEN1PKMCYP3A4
SCHEMBL4372730 0.94 TUBB1 (0.53) TUBB1KMT2AMEN1PKMHTT
SCHEMBL4366575 0.94 TUBB1 (0.52) TUBB1KMT2AMEN1HTTALDH1A1
SCHEMBL4371726 0.93 TUBB1 (0.55) TUBB1KMT2AMEN1PKMHTT
SCHEMBL4376706 0.93 TUBB1 (0.55) TUBB1KMT2AMEN1PKMHTT
SCHEMBL4374151 0.90 TUBB1 (0.61) TUBB1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL58347 0.89 TUBB1 (0.63) TUBB1
SCHEMBL4366513 0.89 TUBB1 (0.55) TUBB1
SCHEMBL57909 0.87 TUBB1 (0.61) TUBB1SMN1; SMN2
SCHEMBL4373023 0.87 TUBB1 (0.61) TUBB1SMN1; SMN2

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
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US claimed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 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 1674/4885MEN1 323/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885KMT2A 1674/4885MEN1 323/4885

“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.