SCHEMBL4366575

SCHEMBL4366575

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)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.52
FAAH O00519 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL4372730 0.94 TUBB1 (0.53) TUBB1FAAHKDM4EMAPTRAB9A
SCHEMBL4366902 0.94 TUBB1 (0.59) TUBB1FAAHTSHRSMN1; SMN2MAPT
SCHEMBL4372569 0.91 TUBB1 (0.55) TUBB1FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL4376706 0.91 TUBB1 (0.55) TUBB1FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL4371726 0.91 TUBB1 (0.55) TUBB1FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL6675056 0.85 TUBB1 (0.70) TUBB1
SCHEMBL4375088 0.85 TUBB1 (0.70) TUBB1
SCHEMBL4374151 0.83 TUBB1 (0.61) TUBB1TSHRMAPTALDH1A1LMNA
SCHEMBL58347 0.83 TUBB1 (0.63) TUBB1
SCHEMBL4366513 0.83 TUBB1 (0.55) TUBB1

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 588/4885FAAH 3422/4885KDM4E 1056/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885FAAH 3422/4885KDM4E 1056/4885

“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.