SCHEMBL17775409

SCHEMBL17775409

CC[C@H]1C(=O)CCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ CASP1 P29466 3/20 0.60
▸ CASP7 P55210 3/20 0.60
▸ HBB P68871 3/20 0.60
▸ USP2 O75604 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ BRCA1 P38398 2/20 0.60
▸ KEAP1 Q14145 2/20 0.60
▸ NFE2L2 Q16236 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ SLC22A2 O15244 1/20 0.60
▸ TOP2A P11388 1/20 0.60
▸ TOP2B Q02880 1/20 0.60
▸ SLC47A2 Q86VL8 1/20 0.60

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
SCHEMBL21841851 0.87 TOP1 (0.58) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24684669 0.87 TOP1 (0.69) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL21298744 0.87 TOP1 (0.69) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16307457 0.80 TOP1 (0.67) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22259156 0.80 TOP1 (0.69) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12308325 0.80 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL19346804 0.80 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27250339 0.79 TOP1 (0.65) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL17775404 0.78 TOP1 (0.52) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23101918 0.77 TOP1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143900-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION OYAGEN, INC. (US) 2016-05-26 — — 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-20160143900-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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