SCHEMBL2386636

SCHEMBL2386636

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 2/20 0.42
CHEK1 O14757 2/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL2386135 0.81 USP2 (0.48) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL1073193 0.81 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2KMT2AGAA
SCHEMBL2384658 0.80 HPGD (0.50) ALDH1A1LMNAKDM4ETSHRHTT
SCHEMBL2384471 0.80 ALDH1A1 (0.77) ALDH1A1LMNAKDM4ETSHRHTT
SCHEMBL2386841 0.79 USP2 (0.48) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL23610369 0.79 KDM4E (0.71) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL17737082 0.79 KDM4E (0.71) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL2389057 0.77 ALDH1A1 (0.60) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL2386234 0.77 BPTF (0.55) USP2ALDH1A1LMNAKDM4ETSHR
SCHEMBL2389213 0.77 DRD2 (0.49) USP2ALDH1A1LMNAKDM4ETSHR

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 9 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-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 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 USP2 1155/4885ALDH1A1 4257/4885LMNA 2607/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 USP2 1155/4885ALDH1A1 4257/4885LMNA 2607/4885

“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.