SCHEMBL6412336

SCHEMBL6412336

O=C(NC1CCCC1)C1c2ccccc2C(=O)N(Cc2ccco2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALOX15 P16050 3/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.46
MCHR1 Q99705 1/20 0.43
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6410700 0.84 GAA (0.54) TSHRTP53GAAALDH1A1SMN1; SMN2
SCHEMBL2933670 0.82 TP53 (0.57) TSHRMAPTLMNANPSR1ALOX15
SCHEMBL6417286 0.82 L3MBTL1 (0.49) TSHRMAPTLMNANPSR1HTT
SCHEMBL6412758 0.82 ALDH1A1 (0.56) TSHRMAPTNPSR1ALOX15HTT
SCHEMBL6414932 0.81 MAPT (0.47) TSHRMAPTHTTGAAALDH1A1
SCHEMBL6412106 0.80 GAA (0.46) TSHRMAPTNPSR1HTTMCHR1
SCHEMBL6411518 0.80 TSHR (0.57) TSHRMAPTNPSR1HTTMCHR1
SCHEMBL6419707 0.80 TSHR (0.43) TSHRMAPTNPSR1HTTMCHR1
SCHEMBL6413218 0.79 HSD17B10 (0.47) TSHRMAPTLMNAHTTGAA
SCHEMBL6411705 0.78 GAA (0.42) TSHRMAPTNPSR1HTTMCHR1

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 TSHR 4878/4885MAPT 3291/4885LMNA 623/4885

“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.