SCHEMBL16812228

SCHEMBL16812228

CC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2cc3c(N(C)C)nccc3nc2-1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ RECQL P46063 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ GLA P06280 2/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ BRCA1 P38398 2/20 0.55
▸ CASP7 P55210 2/20 0.55
▸ HBB P68871 2/20 0.55
▸ KEAP1 Q14145 2/20 0.55
▸ NFE2L2 Q16236 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ SLC22A2 O15244 1/20 0.55

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
SCHEMBL16812220 0.89 TOP1 (0.58) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL16648998 0.88 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL16812230 0.86 TOP1 (0.57) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL18251456 0.81 TOP1 (0.60) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL26843370 0.81 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL12308325 0.81 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL26843302 0.81 TOP1 (0.66) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL14576559 0.80 TOP1 (0.62) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL26844547 0.80 TOP1 (0.58) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL13696745 0.80 TOP1 (0.64) TOP1MEN1KMT2ASMN1; SMN2RECQL

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-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP TOP1 4/4885MEN1 422/4885KMT2A 4271/4885

“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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