SCHEMBL20745709

SCHEMBL20745709

COc1c(Cl)c(C)c(N)c(C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
IMPDH2 P12268 1/20 0.34
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19266217 0.80 IMPDH2 (0.33) IMPDH2
SCHEMBL10947434 0.78 KDM4E (0.32) GAAKDM4E
SCHEMBL19266214 0.78 IMPDH2 (0.35) IMPDH2
SCHEMBL12348441 0.78 GAA (0.31) GAA
SCHEMBL6075100 0.77 ACHE (0.33) ALDH1A1GAAIMPDH2KDM4E
SCHEMBL10694680 0.75 IMPDH2 (0.33) IMPDH2
SCHEMBL9289951 0.75 IMPDH2 (0.33) IMPDH2
SCHEMBL16071624 0.75 ACHE (0.32)
SCHEMBL22927084 0.75 ACHE (0.32)
SCHEMBL6828395 0.74 CA2 (0.36) ALDH1A1IMPDH2

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
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 647/4885GAA 3172/4885MAPT 4499/4885

“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.