SCHEMBL6431389

SCHEMBL6431389

COC(=O)c1c(Cl)nc2cc3c(cc2c1CCl)OCCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
TOP1 P11387 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
KLK7 P49862 2/20 0.35
KLK14 Q9P0G3 2/20 0.35

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
SCHEMBL5860068 0.88 TOP1 (0.43) KDM4EALDH1A1HPGDATMGAA
SCHEMBL6219000 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDATMGAA
Bromide SCHEMBL6431554 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDATMGAA
SCHEMBL5908880 0.70 KDM4E (0.48) KDM4EALDH1A1HPGDATMGAA
SCHEMBL5859933 0.69 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL5860955 0.68 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL5860177 0.68 MAPT (0.44) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL5861259 0.68 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6220451 0.67 PGK1 (0.41) ALDH1A1ALOX15LMNASMN1; SMN2MAPT
SCHEMBL5862670 0.67 TNF (0.39) KDM4EALDH1A1HPGDGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254908-B9 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARM INC (US) 2005-09-21 EP disclosed
EP-1254908-B1 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARM INC (US) 2005-02-23 EP disclosed
US-6821982-B2 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARMACEUTICALS, INC. 2004-11-23 US disclosed
EP-0758333-B1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION OSI PHARM INC (US) 2004-03-03 EP disclosed
US-20030204088-A1 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARMACEUTICALS, INC. 2003-10-30 US disclosed
US-6559309-B2 Preparation for camptothecin and camptothecin-like compounds and to novel intermediates used in this preparation. The process for the preparation of the camptothecin derivative known by 7-(4 OSI PHARMACEUTICALS, INC. 2003-05-06 US disclosed
US-20030045719-A1 Preparation of a camptothecin derivative by intramolecular cyclisation OSI PHARMACEUTICALS, INC. 2003-03-06 US disclosed
EP-1254908-A1 Preparation of a camptothecin derivative by intramolecular cyclisation GILEAD SCIENCES, INC. (US) 2002-11-06 EP disclosed
EP-0758335-B1 PREPARATION OF A CAMPTOTHECIN DERIVATIVE BY INTRAMOLECULAR CYCLISATION GILEAD SCIENCES INC (US) 2002-11-06 EP disclosed
US-6462196-B1 NOVEL INTERMEDIATES USED IN THE PREPARATION OF CAMPTOTHECIN DERIVATIVES OSI PHARMACEUTICALS, INC. 2002-10-08 US disclosed
US-6063923-A Preparation of a camptothecin derivative by intramolecular cyclisation GLAXO WELLCOME INC. (US) 2000-05-16 US disclosed
EP-0758333-A1 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1997-02-19 EP disclosed
EP-0758335-A1 PREPARATION OF A CAMPTOTHECIN DERIVATIVE BY INTRAMOLECULAR CYCLISATION GLAXO WELLCOME INC. (US) 1997-02-19 EP disclosed
US-5491237-A Intermediates in pharmaceutical camptothecin preparation GLAXO WELLCOME INC. (US) 1996-02-13 US disclosed
WO-1995029917-A2 INTERMEDIATES IN PHARMACEUTICAL CAMPTOTHECIN PREPARATION GLAXO WELLCOME INC. (US) 1995-11-09 WO disclosed
WO-1995029919-A1 PREPARATION OF A CAMPTOTHECIN DERIVATIVE BY INTRAMOLECULAR CYCLISATION GLAXO WELLCOME INC. (US) 1995-11-09 WO 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-20030204088-A1 Preparation of a camptothecin derivative by intramolecular cyclisation TOP1, TOP2A, TOP2B KDM4E 3990/4885ALDH1A1 1514/4885HPGD 608/4885
US-20030045719-A1 Preparation of a camptothecin derivative by intramolecular cyclisation TOP1, TOP2A, TOP2B KDM4E 4225/4885ALDH1A1 1456/4885HPGD 504/4885

“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.