SCHEMBL31011913

SCHEMBL31011913

O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(C3CCCc4cccc(-c5ccc(Cl)cc5)c43)CC2)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.77
▸ BCL2L1 Q07817 8/20 0.71
▸ SLC6A3 Q01959 2/20 0.70
▸ ADRA1D P25100 1/20 0.70
▸ DRD3 P35462 1/20 0.70
▸ TMEM97 Q5BJF2 1/20 0.70
▸ BID P55957 2/20 0.70
▸ MCL1 Q07820 2/20 0.70
▸ BCL2A1 Q16548 1/20 0.70
▸ NSD2 O96028 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ ASPH Q12797 1/20 0.69
▸ BCL2L2 Q92843 1/20 0.69
▸ BAD Q92934 1/20 0.69
▸ NSD1 Q96L73 1/20 0.69
▸ NSD3 Q9BZ95 1/20 0.69

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
SCHEMBL29328345 1.00 BCL2 (0.77) BCL2BCL2L1SLC6A3ADRA1DDRD3
SCHEMBL31011836 0.90 BCL2 (0.75) BCL2BCL2L1
SCHEMBL29328469 0.90 BCL2 (0.75) BCL2BCL2L1
SCHEMBL31011958 0.89 BCL2 (0.79) BCL2BCL2L1CYP2C9
SCHEMBL29328128 0.89 BCL2 (0.79) BCL2BCL2L1CYP2C9
SCHEMBL31011887 0.89 BCL2 (0.75) BCL2BCL2L1
SCHEMBL29328479 0.89 BCL2 (0.75) BCL2BCL2L1
SCHEMBL31011866 0.88 BCL2 (0.78) BCL2BCL2L1CYP2C9
SCHEMBL31011914 0.88 BCL2 (0.78) BCL2BCL2L1CYP2C9
SCHEMBL31011808 0.88 BCL2 (0.78) BCL2BCL2L1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 — — 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 BCL2 1/4885BCL2L1 3/4885SLC6A3 4842/4885

“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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