SCHEMBL30314019

SCHEMBL30314019

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCC(F)(F)F)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 1.00
▸ HDAC1 Q13547 3/20 0.83
▸ HDAC6 Q9UBN7 3/20 0.83
▸ BCL2L1 Q07817 2/20 0.82
▸ MCL1 Q07820 2/20 0.82
▸ BCL2L2 Q92843 2/20 0.82
▸ NSD2 O96028 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ ADRA2C P18825 1/20 0.82
▸ SLC6A2 P23975 1/20 0.82
▸ BID P55957 1/20 0.82
▸ SLC6A3 Q01959 1/20 0.82
▸ ASPH Q12797 1/20 0.82
▸ BAD Q92934 1/20 0.82
▸ NSD1 Q96L73 1/20 0.82
▸ NSD3 Q9BZ95 1/20 0.82
▸ TMEM97 Q5BJF2 1/20 0.81

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
SCHEMBL1701827 1.00 BCL2 (1.00) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1702040 0.96 BCL2 (1.00) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL16039223 0.95 BCL2 (0.91) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL30313906 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL28621314 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1699820 0.94 BCL2 (0.88) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL19424558 0.93 BCL2 (0.87) BCL2HDAC1HDAC6
SCHEMBL19503859 0.93 BCL2 (0.87) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL1699808 0.92 BCL2 (0.86) BCL2HDAC1HDAC6BCL2L1MCL1
SCHEMBL30313954 0.92 BCL2 (0.86) BCL2HDAC1HDAC6BCL2L1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2 1/4885HDAC1 460/4885HDAC6 348/4885

“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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