SCHEMBL18151817

SCHEMBL18151817

CC(C)(C)OC(=O)Nc1cc(Oc2cc(N3CCNCC3)ccc2C(=O)O)c(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
BCL2 P10415 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
LRRK2 Q5S007 1/20 0.36
HTR6 P50406 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
GCK P35557 1/20 0.35
BRD4 O60885 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
EGFR P00533 1/20 0.35
P2RY1 P47900 1/20 0.34
ALK Q9UM73 2/20 0.34
WNT1 P04628 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
SCHEMBL1957270 0.92 ABL1 (0.40) ABL1BCL2KDM4EGSK3BDYRK1A
SCHEMBL14638775 0.76 WNT3A (0.45) ABL1GSK3BDYRK1ACHRNB2CHRNA4
SCHEMBL1959893 0.75 BCL2 (0.39) ABL1BCL2KDM4EHTR6CHRNB2
SCHEMBL1957037 0.75 KDM4E (0.39) ABL1BCL2KDM4EHTR6ACACB
SCHEMBL1958499 0.72 GCK (0.44) BCL2GSK3BDYRK1AGCK
SCHEMBL1955982 0.71 ALK (0.41) ABL1BCL2MAPK10P2RY1ALK
SCHEMBL25347433 0.70 GSK3B (0.44) BCL2KDM4EGSK3BDYRK1AGCK
SCHEMBL28103092 0.68 LTA4H (0.58) KDM4EHTR6
SCHEMBL29773999 0.68 GSK3B (0.42) BCL2GSK3BDYRK1AGCK
SCHEMBL6503210 0.68 MAPT (0.50) KDM4EP2RY1

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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ABL1 3911/4885BCL2 1/4885KDM4E 3629/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ABL1 3911/4885BCL2 1/4885KDM4E 3629/4885

“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.