SCHEMBL19911640

SCHEMBL19911640

Cc1ccc(C2=C(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5ccc6[nH]ccc6c5)c4)CC3)CCC(C)(C)C2)cc1

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 7/20 0.92
▸ BCL2L1 Q07817 2/20 0.80
▸ NSD2 O96028 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ ADRA2C P18825 1/20 0.79
▸ SLC6A2 P23975 1/20 0.79
▸ BID P55957 1/20 0.79
▸ SLC6A3 Q01959 1/20 0.79
▸ MCL1 Q07820 1/20 0.79
▸ ASPH Q12797 1/20 0.79
▸ BCL2L2 Q92843 1/20 0.79
▸ BAD Q92934 1/20 0.79
▸ NSD1 Q96L73 1/20 0.79
▸ NSD3 Q9BZ95 1/20 0.79

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
SCHEMBL1702539 0.96 BCL2 (1.00) BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL30468002 0.96 BCL2 (1.00) BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL17250053 0.92 BCL2 (0.92) BCL2BCL2L1NSD2ADORA3CYP2C9
SCHEMBL1957486 0.92 BCL2 (0.93) BCL2
SCHEMBL19419621 0.91 BCL2 (0.92) BCL2
SCHEMBL1955090 0.91 BCL2 (0.92) BCL2
SCHEMBL1954728 0.91 BCL2 (0.92) BCL2
SCHEMBL1957657 0.91 BCL2 (0.92) BCL2
SCHEMBL2483608 0.91 BCL2 (0.92) BCL2
SCHEMBL1958638 0.91 BCL2 (0.92) BCL2

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-20180055847-A1 COMBINATION THERAPIES INFINITY PHARMACEUTICALS, INC. 2018-03-01 — — 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-20180055847-A1 COMBINATION THERAPIES BCL2, BAK1, BCL3 BCL2 1/4885BCL2L1 6/4885NSD2 1476/4885

“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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