SCHEMBL2384471

SCHEMBL2384471

O=C(O)c1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
LMNA P02545 1/20 0.77
TSHR P16473 3/20 0.73
HTT P42858 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
SRD5A2 P31213 3/20 0.62
NR1H4 Q96RI1 3/20 0.61
KDM4E B2RXH2 1/20 0.60
GRM5 P41594 3/20 0.54
HSD11B1 P28845 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
CNR2 P34972 1/20 0.51
GRM1 Q13255 1/20 0.51

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
SCHEMBL3327899 0.84 ALDH1A1 (0.75) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2390136 0.81 ALDH1A1 (0.62) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2389057 0.80 ALDH1A1 (0.60) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2386234 0.80 BPTF (0.55) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2386636 0.80 USP2 (0.51) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2386841 0.77 USP2 (0.48) ALDH1A1LMNATSHRHTTNPSR1
SCHEMBL2390198 0.76 EPHX1 (0.53) ALDH1A1LMNASRD5A2MEN1KMT2A
SCHEMBL23610369 0.76 KDM4E (0.71) ALDH1A1LMNATSHRSMN1; SMN2SRD5A2
SCHEMBL17737082 0.76 KDM4E (0.71) ALDH1A1LMNATSHRSMN1; SMN2SRD5A2
SCHEMBL15876506 0.76 SRD5A2 (0.50) ALDH1A1LMNATSHRHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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 (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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885LMNA 2607/4885TSHR 3724/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885LMNA 2607/4885TSHR 3724/4885

“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.