SCHEMBL5686355

SCHEMBL5686355

COc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.52
TUBB P07437 4/20 0.52
TUBA3C P0DPH7 4/20 0.52
TUBA1B P68363 4/20 0.52
TUBA4A P68366 4/20 0.52
TUBB4B P68371 4/20 0.52
TUBB3 Q13509 4/20 0.52
TUBB2A Q13885 4/20 0.52
TUBB8 Q3ZCM7 4/20 0.52
TUBA3E Q6PEY2 4/20 0.52
TUBA1A Q71U36 4/20 0.52
TUBA1C Q9BQE3 4/20 0.52
TUBB6 Q9BUF5 4/20 0.52
TUBB2B Q9BVA1 4/20 0.52
TUBB1 Q9H4B7 4/20 0.52
MAPT P10636 2/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 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
SCHEMBL17366133 0.95 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13660015 0.90 MIF (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5689279 0.88 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15460411 0.87 PTPN1 (0.45) MAPTHSD17B10ALDH1A1PTPN1TSHR
SCHEMBL15463035 0.86 MAPT (0.48) MAPTHSD17B10USP2ALDH1A1LMNA
SCHEMBL13644528 0.84 USP2 (0.53) MAPTHSD17B10USP2ALDH1A1LMNA
SCHEMBL13362374 0.84 USP2 (0.53) MAPTHSD17B10USP2ALDH1A1LMNA
SCHEMBL1015152 0.83 MIF (0.57) MAPTHSD17B10USP2ALDH1A1LMNA
SCHEMBL13643398 0.83 PTPN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12687453 0.82 S1PR1 (0.48) MAPTHSD17B10USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160773-A1 Combretastatin derivatives with cytotoxic action SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-07-20 US claimed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 EP claimed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 WO claimed
EP-2350030-B9 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-10-26 EP disclosed
EP-2350030-B1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-04-20 EP disclosed
EP-2670740-B1 AMIDOBENZOTHIAZOLES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-12-30 EP disclosed
US-9102638-B2 Amidobenzothiazoles and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-11 US disclosed
EP-2670739-B1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-04-01 EP disclosed
US-8921552-B2 Benzothiazole hybrids useful as anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-30 US disclosed
US-8921552-B2 Benzothiazole hybrids useful as anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-30 US disclosed
US-8883809-B2 Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-11 US disclosed
US-8883809-B2 Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-11 US disclosed
US-20140039190-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-06 US disclosed
US-20140039190-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-06 US disclosed
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Redearch (IN) 2012-11-08 US disclosed
WO-2012104875-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 WO disclosed
WO-2010058417-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO disclosed
EP-1646616-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2006-04-19 EP disclosed
WO-2005007635-A2 COMBRETASTATIN DERIVATIVES WITH CYTOTOXIC ACTION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-01-27 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 (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-20140039190-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF TP53, MCL1, SDHA TUBB4A 40/4885TUBB 112/4885TUBA3C 435/4885
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NDUFAF1, TOP1, COX4I1 TUBB4A 67/4885TUBB 161/4885TUBA3C 115/4885
US-20060160773-A1 Combretastatin derivatives with cytotoxic action TUBB, TUBB1, TYMS TUBB4A 6/4885TUBB 1/4885TUBA3C 15/4885

“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.