SCHEMBL22320501

SCHEMBL22320501

Cc1cc(O)cc(C)c1-c1c(-c2ccc(F)cc2)sc2ncnc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KIT P10721 5/20 0.40
KDR P35968 5/20 0.40
TEK Q02763 5/20 0.40
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MRGPRX1 Q96LB2 3/20 0.34
APP P05067 1/20 0.34
LIMK1 P53667 1/20 0.34
MKNK2 Q9HBH9 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
TYK2 P29597 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 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
SCHEMBL20742698 0.86 MAPT (0.43) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL20262700 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL22320514 0.81 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL18342662 0.77 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL22320612 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAKDRTEK
SCHEMBL22320697 0.76 NOTUM (0.38) SMN1; SMN2LMNAKITKDRTEK
SCHEMBL2369189 0.76 KDR (0.55) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL16815522 0.73 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL1604258 0.73 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAKITKDR
SCHEMBL19149232 0.73 LMNA (0.38) SMN1; SMN2ALDH1A1LMNAKITKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SMN1; SMN2 609/4885ALDH1A1 647/4885LMNA 424/4885

“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.