SCHEMBL6410164

SCHEMBL6410164

Cc1cc(C)nc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.49
ALOX15 P16050 2/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 1/20 0.41
PHGDH O43175 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
FFAR1 O14842 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
SCHEMBL6412188 0.91 MAPT (0.54) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6417898 0.90 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6411648 0.88 HSD17B10 (0.51) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6417640 0.88 ALDH1A1 (0.65) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6416746 0.88 TSHR (0.51) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6413379 0.86 TSHR (0.51) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6417623 0.85 MAPT (0.56) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6413221 0.84 CYP1A2 (0.55) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6412332 0.83 HSD17B10 (0.47) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6413306 0.83 HSD17B10 (0.51) MAPTALDH1A1KDM4EHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD MAPT 3291/4885ALDH1A1 1368/4885KDM4E 2355/4885

“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.