SCHEMBL5012704

SCHEMBL5012704

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=Nc1ccc(Sc2ccc(N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 0.72
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 2/20 0.58
BLM P54132 2/20 0.58
RECQL P46063 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.56
GLA P06280 3/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
STAT6 P42226 1/20 0.56
CHEK1 O14757 1/20 0.56
HDAC3 O15379 1/20 0.56
ABCC4 O15439 1/20 0.56
GMNN O75496 1/20 0.56

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
SCHEMBL1385182 0.91 TOP1 (0.83) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL1381473 0.89 TOP1 (0.81) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL28759768 0.89 TOP1 (0.78) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL5014520 0.89 TOP1 (0.78) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL5012974 0.89 TOP1 (0.77) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL5011258 0.88 TOP1 (0.76) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL5011496 0.87 TOP1 (0.75) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL1386720 0.86 TOP1 (0.73) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL2929566 0.85 TOP1 (0.80) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL26514712 0.85 TOP1 (0.80) TOP1KDM4ERAB9ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603919-B1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2008-12-17 EP claimed
US-7351714-B2 7-imino derivatives of camptothecin having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-04-01 US claimed
JP-2006520807-A 2006-09-14 JP claimed
US-20060167033-A1 7-Imino derivatives of camptothecin having antitumor activity ISTITUTO NAZIONALE PER LO STUDIO E LA CURA DEI TUMORI (IT) 2006-07-27 US claimed
EP-1603919-A1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-12-14 EP claimed
WO-2004083214-A1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-30 WO claimed
US-20040018988-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-29 US claimed
EP-1603919-B1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2008-12-17 EP disclosed
US-7351714-B2 7-imino derivatives of camptothecin having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-04-01 US disclosed
US-7105492-B2 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-12 US disclosed
US-20060167033-A1 7-Imino derivatives of camptothecin having antitumor activity ISTITUTO NAZIONALE PER LO STUDIO E LA CURA DEI TUMORI (IT) 2006-07-27 US disclosed
EP-1603919-A1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-12-14 EP disclosed
WO-2004083214-A1 7-IMINO DERIVATIVES OF CAMPTOTHECIN HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-30 WO disclosed
US-20040018988-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-29 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 (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-20060167033-A1 7-Imino derivatives of camptothecin having antitumor activity TYMP, TOP1, TOP2A TOP1 2/4885KDM4E 4695/4885RAB9A 1898/4885
US-20040018988-A1 Camptothecin derivatives having antitumor activity TOP1, TOP2A, TOP2B TOP1 1/4885KDM4E 4771/4885RAB9A 1745/4885

“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.