SCHEMBL16539308

SCHEMBL16539308

O=Cc1cc(-c2ccc3c(c2)OCO3)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.53
KDM4E B2RXH2 5/20 0.51
ALPL P05186 2/20 0.51
MAPT P10636 8/20 0.50
LMNA P02545 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 3/20 0.48
DUSP3 P51452 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAP2K4 P45985 2/20 0.47

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
SCHEMBL14138506 0.91 KDM4E (0.62) SNCAKDM4EALPLMAPTLMNA
SCHEMBL10057827 0.80 SNCA (0.77) SNCAKDM4EALPLMAPTLMNA
SCHEMBL6250827 0.78 SNCA (0.56) SNCAKDM4EALPLMAPTLMNA
SCHEMBL16539443 0.78 MAPT (0.55) KDM4EALPLMAPTLMNAMEN1
SCHEMBL16539440 0.78 MAPT (0.55) KDM4EALPLMAPTLMNAMEN1
SCHEMBL31703271 0.77 DCUN1D1 (0.51) SNCAKDM4EALPLMAPTLMNA
SCHEMBL16547817 0.76 MAPT (0.53) SNCAKDM4EALPLMAPTLMNA
SCHEMBL17924185 0.76 MAPT (0.53) SNCAKDM4EALPLMAPTLMNA
SCHEMBL18671583 0.75 DUSP3 (0.48) KDM4EALPLMAPTLMNAMEN1
SCHEMBL17279918 0.75 SNCA (0.82) SNCAKDM4EALPLMAPTLMNA

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
EP-2944635-B1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-11-28 EP disclosed
EP-3039013-B1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2018-09-12 EP disclosed
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9604933-B2 Pyrazolochalcones as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-28 US disclosed
US-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 US disclosed
EP-3039013-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS Council of Scientific and Industrial Research (IN) 2016-07-06 EP disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US disclosed
EP-2944635-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2015-11-18 EP disclosed
WO-2015029051-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-03-05 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-20160207888-A1 PYRAZOLOCHALCONES AS POTENTIAL ANTICANCER AGENTS HCCS, CCNE2, FOXO3 SNCA 3499/4885KDM4E 1002/4885ALPL 4647/4885
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 SNCA 3280/4885KDM4E 1744/4885ALPL 3575/4885

“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.