SCHEMBL6418401

SCHEMBL6418401

CN(C)c1ccc(CNC(=O)C2c3ccccc3C(=O)N(C)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
PKM P14618 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 3/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
P2RX7 Q99572 2/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6420424 0.89 TSHR (0.63) TSHRPKMUSP2ALOX15GLA
SCHEMBL6412753 0.88 TSHR (0.51) TSHRPKMUSP2ALOX15GLA
SCHEMBL6413433 0.84 MAPK1 (0.62) TSHRPKMUSP2ALOX15GLA
SCHEMBL6416926 0.84 MAPK1 (0.62) TSHRPKMUSP2ALOX15GLA
SCHEMBL6418322 0.83 HSD17B10 (0.55) TSHRPKMUSP2ALOX15GLA
SCHEMBL6412345 0.81 GLA (0.47) TSHRPKMUSP2ALOX15GLA
SCHEMBL6412043 0.80 HSD17B10 (0.49) TSHRPKMUSP2ALOX15GLA
SCHEMBL6413399 0.80 GLA (0.53) TSHRALOX15GLACASP1MAPT
SCHEMBL6420494 0.80 GLA (0.53) TSHRALOX15GLACASP1MAPT
SCHEMBL6415492 0.80 GLA (0.53) TSHRALOX15GLACASP1MAPT

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 4878/4885PKM 3928/4885USP2 2551/4885

“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.