SCHEMBL13644516

SCHEMBL13644516

COc1cc(C2CC(c3ccccc3)=NO2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.56
PTPN1 P18031 6/20 0.55
PTAFR P25105 2/20 0.48
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
MAPK10 P53779 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.43

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
SCHEMBL13644519 0.89 PTPN1 (0.62) ALDH1A1MAPTPTPN1TSHRKDM4E
SCHEMBL12651372 0.83 ALDH1A1 (0.46) ALDH1A1MAPTPTPN1PTAFRTSHR
SCHEMBL13644528 0.83 USP2 (0.53) ALDH1A1MAPTPTPN1PTAFRTSHR
SCHEMBL13362374 0.83 USP2 (0.53) ALDH1A1MAPTPTPN1PTAFRTSHR
SCHEMBL1015152 0.82 MIF (0.57) ALDH1A1MAPTPTPN1TSHRUSP2
SCHEMBL5689279 0.82 TUBB4A (0.49) MAPTPTPN1USP2L3MBTL1
SCHEMBL13660015 0.80 MIF (0.51) ALDH1A1MAPTPTPN1TSHRUSP2
SCHEMBL15463035 0.78 MAPT (0.48) ALDH1A1MAPTPTPN1TSHRUSP2
SCHEMBL6939090 0.77 TSHR (0.51) PTPN1TSHRCA2MAOB
SCHEMBL5686355 0.77 TUBB4A (0.52) ALDH1A1MAPTPTPN1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 212/4885MAPT 1678/4885PTPN1 4605/4885

“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.