SCHEMBL17075419

SCHEMBL17075419

COc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(OC)cc4)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 2/20 0.54
NR3C2 P08235 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NT5E P21589 1/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40

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
SCHEMBL17075413 0.96 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15556697 0.96 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15556997 0.94 ALDH1A1 (0.65) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15556946 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15557174 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL17075416 0.89 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL17075423 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15556696 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL15556017 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL17075427 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US claimed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP claimed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP disclosed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 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-20150259334-A1 BENZISOXAZOLES CDR2, CHRNA5, CHRNA3 MEN1 1009/4885KMT2A 3915/4885ALDH1A1 239/4885

“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.