SCHEMBL17075423

SCHEMBL17075423

Cc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(C)cc4)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
PTK2B Q14289 1/20 0.52
IP6K1 Q92551 5/20 0.51
IP6K3 Q96PC2 5/20 0.51
IP6K2 Q9UHH9 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR3C2 P08235 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ATM Q13315 1/20 0.42
GFER P55789 1/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL17075426 0.94 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15556689 0.94 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL17075414 0.94 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL17075413 0.92 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15556697 0.92 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15560352 0.91 PIM1 (0.47) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15557300 0.90 MEN1 (0.43) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15560333 0.88 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL15556017 0.87 MEN1 (0.52) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL17075427 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ARAB9APOLB

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 11 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-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US 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 ALDH1A1 239/4885MEN1 1009/4885KMT2A 3915/4885

“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.