SCHEMBL21841852

SCHEMBL21841852

CC[C@@]1(O)C(=O)NCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.75
▸ MEN1 O00255 5/20 0.75
▸ KMT2A Q03164 5/20 0.75
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ KDM4E B2RXH2 4/20 0.75
▸ MAPT P10636 3/20 0.75
▸ CASP1 P29466 3/20 0.75
▸ CASP7 P55210 3/20 0.75
▸ HBB P68871 3/20 0.75
▸ USP2 O75604 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ BRCA1 P38398 2/20 0.75
▸ KEAP1 Q14145 2/20 0.75
▸ NFE2L2 Q16236 2/20 0.75
▸ HIF1A Q16665 2/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ SLC22A2 O15244 1/20 0.75
▸ TOP2A P11388 1/20 0.75
▸ TOP2B Q02880 1/20 0.75
▸ SLC47A2 Q86VL8 1/20 0.75

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
SCHEMBL12308325 0.88 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL133645 0.86 TOP1 (0.97) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL30712226 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3927536 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29726458 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL5531617 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL14577671 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL31517322 0.86 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338067-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION OYAGEN, INC. (US) 2020-10-29 — — US disclosed
US-10588902-B2 Camptothecin derivatives as anti-HIV agents and methods of identifying agents that disrupt Vif self-association OYAGEN, INC. (US) 2020-03-17 — — 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 (2 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-10588902-B2 Camptothecin derivatives as anti-HIV agents and methods of identifying agents that disrupt Vif self-association REV1, APOBEC3A, TOP2A TOP1 11/4885MEN1 2811/4885KMT2A 2297/4885
US-20200338067-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION REV1, APOBEC3A, TOP2A TOP1 11/4885MEN1 2811/4885KMT2A 2297/4885

“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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