SCHEMBL16648998

SCHEMBL16648998

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N(C)C)nccc3nc2-1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.73
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ GLA P06280 3/20 0.72
▸ RECQL P46063 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ KDM4E B2RXH2 5/20 0.71
▸ MAPT P10636 3/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ LMNA P02545 3/20 0.71
▸ HBB P68871 3/20 0.71
▸ HIF1A Q16665 3/20 0.71
▸ USP2 O75604 2/20 0.71
▸ CASP1 P29466 2/20 0.71
▸ BRCA1 P38398 2/20 0.71
▸ CASP7 P55210 2/20 0.71

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
SCHEMBL16648942 0.90 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16812228 0.88 TOP1 (0.56) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16649246 0.88 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25396064 0.86 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13217339 0.86 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21410039 0.86 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1006662 0.84 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27561956 0.84 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23270615 0.84 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1062768 0.84 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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 8 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-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
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
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — 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-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.

Send feedback