SCHEMBL18296582

SCHEMBL18296582

CCCc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ ALDH1A1 P00352 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ HBB P68871 2/20 0.79
▸ CASP1 P29466 1/20 0.79
▸ CASP7 P55210 1/20 0.79
▸ TP53 P04637 2/20 0.76
▸ GLA P06280 2/20 0.76
▸ HPGD P15428 2/20 0.76
▸ STAT6 P42226 1/20 0.76
▸ CHEK1 O14757 1/20 0.76
▸ HDAC3 O15379 1/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ GMNN O75496 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CYP1A2 P05177 1/20 0.76

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
SCHEMBL18296774 0.95 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7055883 0.93 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29225713 0.93 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7262395 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23358409 0.93 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2986960 0.93 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5723890 0.92 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28123033 0.92 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8483773 0.92 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8483707 0.92 TOP1 (0.77) 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-20160375042-A1 USE OF CAMPTOTHECIN DERIVATIVE IN PREPARING PHARMACEUTICAL USED FOR TREATING MULTIPLE MYELOMA ZHOU WENQIANG (CN) 2016-12-29 — — US disclosed
EP-3100734-A1 USE OF CAMPTOTHECIN DERIVATIVE IN PREPARING PHARMACEUTICAL USED FOR TREATING MULTIPLE MYELOMA Zhou, Wenqiang (CN) 2016-12-07 — — EP 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-20160375042-A1 USE OF CAMPTOTHECIN DERIVATIVE IN PREPARING PHARMACEUTICAL USED FOR TREATING MULTIPLE MYELOMA SLC11A2, MCL1, ABCC1 TOP1 48/4885MEN1 4/4885KMT2A 1140/4885

“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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