SCHEMBL1015152

SCHEMBL1015152

COc1cc(C2=NOC(c3cc(OC)c(OC)c(OC)c3)C2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.57
USP2 O75604 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
IARS1 P41252 1/20 0.47
MARS1 P56192 1/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PTPN1 P18031 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK2 O96017 1/20 0.44
FYN P06241 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL13660015 0.93 MIF (0.51) MIFUSP2MAPTHSD17B10ALDH1A1
SCHEMBL5689279 0.90 TUBB4A (0.49) MIFUSP2IARS1MARS1MAPT
SCHEMBL12651372 0.86 ALDH1A1 (0.46) MIFUSP2MAOBMAPTHSD17B10
SCHEMBL13362374 0.86 USP2 (0.53) MIFUSP2MAPTHSD17B10ALDH1A1
SCHEMBL13644528 0.86 USP2 (0.53) MIFUSP2MAPTHSD17B10ALDH1A1
SCHEMBL3348174 0.83 PTPN1 (0.53) USP2HSD17B10ALDH1A1LMNAPTPN1
SCHEMBL5686355 0.83 TUBB4A (0.52) MIFUSP2MAPTHSD17B10ALDH1A1
SCHEMBL12607606 0.83 MIF (0.54) MIFMAOAMAOBIARS1MARS1
SCHEMBL13644516 0.82 ALDH1A1 (0.56) USP2MAOBMAPTALDH1A1PTPN1
SCHEMBL13644519 0.80 PTPN1 (0.62) USP2MAPTHSD17B10ALDH1A1LMNA

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-2271648-B1 ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF COUNCIL SCIENT IND RES (IN) 2013-02-13 EP disclosed
EP-2271648-B1 ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF COUNCIL SCIENT IND RES (IN) 2013-02-13 EP disclosed
US-8372831-B2 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-12 US disclosed
US-8372831-B2 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-12 US disclosed
US-20110118237-A1 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-05-19 US disclosed
US-20110118237-A1 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-05-19 US disclosed
EP-2271648-A1 ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF Council of Scientific & Industrial Research (IN) 2011-01-12 EP disclosed
WO-2009118748-A1 ISOXAZOLINE LINKED PYRROLO[2,1-C[1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed
WO-2009118748-A1 ISOXAZOLINE LINKED PYRROLO[2,1-C[1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 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-20110118237-A1 Isoxazoline linked pyrrolo[2,1-c][1,4]benzodiazepine hybrids as potential anticancer agents and the process for preparation thereof GABRA5, GABRA1, CYP3A7 MIF 3861/4885USP2 4016/4885MAOA 1921/4885

“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.