SCHEMBL6410783

SCHEMBL6410783

CC(=O)N1CCN(C(=O)C2c3ccccc3C(=O)N(C(C)C(N)=O)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TSHR P16473 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.37
STING1 Q86WV6 2/20 0.37
TACR1 P25103 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL6418774 0.84 TSHR (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6416804 0.83 TACR1 (0.34) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL6410778 0.82 KDM4E (0.46) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6414214 0.78 KDM4E (0.59) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6418317 0.78 MAPK1 (0.45) ALDH1A1TSHRKMT2ASMN1; SMN2TACR1
SCHEMBL6417894 0.76 UBE2M (0.46) MEN1KMT2ATACR1
SCHEMBL6410223 0.75 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL6417356 0.75 DRD2 (0.46) TACR1
SCHEMBL6414224 0.75 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6410875 0.74 TSHR (0.53) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2

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 3 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

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 ALDH1A1 1368/4885TSHR 4878/4885MEN1 4201/4885

“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.