SCHEMBL1702267

SCHEMBL1702267

COC(=O)C1CCC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.90
▸ BCL2L1 Q07817 3/20 0.90
▸ MCL1 Q07820 2/20 0.90
▸ BCL2L2 Q92843 2/20 0.90
▸ TMEM97 Q5BJF2 1/20 0.90
▸ NSD2 O96028 1/20 0.89
▸ ADORA3 P0DMS8 1/20 0.89
▸ CYP2C9 P11712 1/20 0.89
▸ ADRA2C P18825 1/20 0.89
▸ SLC6A2 P23975 1/20 0.89
▸ BID P55957 1/20 0.89
▸ SLC6A3 Q01959 1/20 0.89
▸ ASPH Q12797 1/20 0.89
▸ BAD Q92934 1/20 0.89
▸ NSD1 Q96L73 1/20 0.89
▸ NSD3 Q9BZ95 1/20 0.89

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
SCHEMBL1702263 1.00 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1701505 0.96 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1701509 0.96 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2TMEM97
A-1211212 SCHEMBL523882 0.95 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1699906 0.95 BCL2 (0.91) BCL2BCL2L1MCL1BCL2L2TMEM97
A-1211212 SCHEMBL1699818 0.95 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
SCHEMBL1699909 0.95 BCL2 (0.91) BCL2BCL2L1MCL1BCL2L2TMEM97
A-1211212 SCHEMBL30313858 0.95 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
A-1211212 SCHEMBL30313959 0.95 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97
A-1211212 SCHEMBL30313830 0.95 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 — — US claimed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 — — EP claimed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 — — WO claimed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 — — US disclosed
EP-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 — — EP disclosed
US-9034875-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-19 — — US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 — — WO disclosed
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 — — US disclosed
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 — — US disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 — — EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 — — WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 — — 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 (3 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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 BCL2 785/4885BCL2L1 1766/4885MCL1 28/4885
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BCL2L1 4/4885MCL1 13/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885BCL2L1 4/4885MCL1 13/4885

“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.

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