SCHEMBL29629012

SCHEMBL29629012

CC1(C)CC(N2CC[C@@H](Nc3c([N+](=O)[O-])cccc3S(N)(=O)=O)C2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CTSS P25774 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1809771 0.82 MAPT (0.42) HTTKMT2APOLBTDP1LMNA
SCHEMBL1809773 0.82 MAPT (0.42) HTTKMT2APOLBTDP1LMNA
SCHEMBL30314112 0.80 KMT2A (0.37) KMT2APOLBATMTDP1MEN1
SCHEMBL25170480 0.76 KMT2A (0.44) KMT2APOLBATMTDP1MEN1
SCHEMBL25176154 0.72 MAPK1 (0.40) KMT2AMEN1ALDH1A1NPC1DRD2
SCHEMBL25176147 0.72 MAPK1 (0.40) KMT2AMEN1ALDH1A1NPC1DRD2
SCHEMBL25176421 0.72 MAPT (0.35) HTTKMT2APOLBATMTDP1
SCHEMBL25170344 0.71 MAPK1 (0.40) KMT2ATDP1MEN1ALDH1A1NPC1
SCHEMBL25173498 0.71 KMT2A (0.37) KMT2APOLBTDP1MEN1ALDH1A1
SCHEMBL25176089 0.71 MAPK1 (0.40) KMT2ATDP1MEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4682148-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2026-01-21 EP disclosed
US-20250161318-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2025-05-22 US disclosed
EP-4474383-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2024-12-11 EP disclosed
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2024-02-13 US disclosed
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2024-02-08 US disclosed
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP disclosed
EP-4218731-A2 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2023-08-02 EP disclosed
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 US disclosed
US-20220315555-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2022-10-06 US disclosed
US-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent ABBVIE INC. (US) 2022-06-28 US disclosed
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2022-04-28 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 (7 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-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent BCL2, BAX, BCL2L1 HTT 3888/4885KMT2A 4458/4885POLB 1409/4885
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTT 3503/4885KMT2A 3560/4885POLB 1702/4885
US-20220125796-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 HTT 3628/4885KMT2A 4097/4885POLB 1300/4885
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases BCL2, BAX, BCL3 HTT 3503/4885KMT2A 3560/4885POLB 1702/4885
US-20220315555-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTT 3503/4885KMT2A 3560/4885POLB 1702/4885
US-20250161318-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 HTT 3628/4885KMT2A 4097/4885POLB 1300/4885
US-20240043404-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTT 3503/4885KMT2A 3560/4885POLB 1702/4885

“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.