SCHEMBL17086629

SCHEMBL17086629

Cc1ccc(-c2ccnn2-c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ATM Q13315 1/20 0.54
NR3C2 P08235 1/20 0.52
KDM4A O75164 1/20 0.50
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
FLT3 P36888 1/20 0.49
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 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
SCHEMBL17086632 0.91 MEN1 (0.50) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL17086616 0.91 ALDH1A1 (0.55) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL12759885 0.91 MDM2 (0.52) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL17086633 0.91 MDM2 (0.52) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL17086615 0.88 MAPT (0.52) MAPTALDH1A1ATMNR3C2NPC1
SCHEMBL17086614 0.87 MEN1 (0.48) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL8188525 0.86 ALDH1A1 (0.44) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL17369543 0.86 PTGS2 (0.64) KDM5AKDM4CKDM5BCYP2C9PTGS2
SCHEMBL28097403 0.85 NR3C2 (0.51) MAPTALDH1A1ATMNR3C2KDM4A
SCHEMBL13333580 0.84 PTGS2 (0.60) CYP2C9CYP3A4PTGS2PTGS1MAPK14

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-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 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 MAPT 101/4885ALDH1A1 239/4885ATM 197/4885

“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.