SCHEMBL4547376

SCHEMBL4547376

BC(=O)Oc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.80
▸ MEN1 O00255 3/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ HBB P68871 2/20 0.76
▸ CASP1 P29466 1/20 0.76
▸ CASP7 P55210 1/20 0.76
▸ TP53 P04637 2/20 0.73
▸ GLA P06280 2/20 0.73
▸ HPGD P15428 2/20 0.73
▸ STAT6 P42226 1/20 0.73
▸ CHEK1 O14757 1/20 0.73
▸ HDAC3 O15379 1/20 0.73
▸ ABCC4 O15439 1/20 0.73
▸ GMNN O75496 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73

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
SCHEMBL29229512 0.94 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8187235 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26911556 0.93 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1030270 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27748704 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL26976681 0.93 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10633845 0.93 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8506572 0.93 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28291366 0.93 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30516672 0.92 TOP1 (0.78) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 — — US disclosed
US-8563537-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2013-10-22 — — US disclosed
EP-1951231-B1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MED CENTER (US) 2013-07-31 — — EP disclosed
US-8168648-B2 Camptothecin derivatives and uses thereof TAIWAN LIPOSOME CO., LTD. (TW) 2012-05-01 — — US disclosed
US-7875602-B2 Camptothecin-based compounds are modified by positioning at least one electron-affinic group around the camptothecin structure to enhance their value in cancer treatment in combination with radiotherapy; less toxic SUTTER WEST BAY HOSPITALS (US) 2011-01-25 — — US disclosed
US-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF TAIWAN LIPOSOME CO. LTD. (TW) 2010-09-09 — — US disclosed
US-20080318873-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2008-12-25 — — US disclosed
WO-2007048002-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 — — WO disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 — — US disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 — — 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 (3 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-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF LDHA, LDHB, TOP2A TOP1 6/4885MEN1 2681/4885KMT2A 2900/4885
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents ERCC2, CHEK1, ERCC4 TOP1 16/4885MEN1 531/4885KMT2A 4282/4885
US-20080318873-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 TOP1 16/4885MEN1 531/4885KMT2A 4282/4885

“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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