SCHEMBL13245353

SCHEMBL13245353

COC(=O)[C@@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCC(F)CC3)cc2)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
HRH3 Q9Y5N1 2/20 0.47
CHRM2 P08172 1/20 0.46
ACACB O00763 2/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CCR3 P51677 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL13245461 0.89 KMT2A (0.54) LMNAKDM4E
SCHEMBL3016003 0.82
SCHEMBL13654204 0.82 KMT2A (0.56)
SCHEMBL400307 0.82 KMT2A (0.56)
SCHEMBL13018959 0.82 KMT2A (0.56)
SCHEMBL13244735 0.82 KMT2A (0.53) LMNAKDM4E
SCHEMBL3021499 0.82 LMNA (0.40) LMNAHRH3CHRM2ACACBCYP2D6
SCHEMBL3021497 0.82 LMNA (0.40) LMNAHRH3CHRM2ACACBCYP2D6
SCHEMBL13245465 0.79 TAS1R3 (0.53) LMNAACACBCYP2C9TAS1R3TAS1R1
SCHEMBL13244511 0.79 KMT2A (0.46) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 LMNA 3214/4885HRH3 4192/4885CHRM2 4839/4885

“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.