SCHEMBL6514040

SCHEMBL6514040

CCOC(=O)c1cc2cc(NC(C)=O)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 1.00
MMP2 P08253 6/20 0.70
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
NPC1 O15118 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
MMP14 P50281 4/20 0.57

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
SCHEMBL8204370 0.91 MMP13 (0.83) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8209912 0.91 MMP13 (0.83) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL28687276 0.90 MMP13 (0.81) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8209921 0.90 MMP13 (0.81) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL6517285 0.88 MMP13 (0.79) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL6001724 0.86 MMP13 (0.76) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL12501317 0.86 MMP13 (0.76) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL6514064 0.86 MMP13 (0.76) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL8204629 0.86 MMP13 (0.76) MMP13MMP2KDM4EALDH1A1HPGD
SCHEMBL24601450 0.84 MMP13 (0.72) MMP13MMP2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860866-B 5- (substitution carbon acylamino) -1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
CN-1165303-C DNA-binding indole derivatives, prodrugs and immunoconjugates thereof as antitumor agents 全景研究有限公司 2004-09-08 CN disclosed
EP-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
CN-1219841-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RES INC (US) 1999-06-16 CN disclosed
EP-0918752-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1999-06-02 EP disclosed
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed
WO-1997044000-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1997-11-27 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 (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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK MMP13 1315/4885MMP2 1486/4885KDM4E 1508/4885

“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.