SCHEMBL3471744

SCHEMBL3471744

COc1cc(/C=N/O)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 6/20 0.58
HTT P42858 4/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
HSD17B10 Q99714 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 2/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
AMY1A P0DUB6 1/20 0.54
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
CYP1A1 P04798 1/20 0.50

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
SCHEMBL15463039 1.00 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL3471747 1.00 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL22824610 0.90 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL30393930 0.89 ALDH1A1 (0.52) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL10050296 0.89 ALDH1A1 (0.52) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL7120261 0.87 ALDH1A1 (0.51) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL7120256 0.87 ALDH1A1 (0.51) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL2446290 0.87 ALDH1A1 (0.75) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL12120526 0.87 HSD17B10 (0.75) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL2446293 0.87 ALDH1A1 (0.75) HPGDSMN1; SMN2ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 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

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-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NDUFAF1, TOP1, COX4I1 HPGD 1008/4885SMN1; SMN2 4334/4885ALDH1A1 212/4885

“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.