SCHEMBL13091057

SCHEMBL13091057

CCN1CCN(CCCNC(=O)c2ccc3c(=O)n(CCc4ccc(OC)c(OC)c4)c(=O)[nH]c3c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.84
POLB P06746 1/20 0.76
MAPT P10636 3/20 0.73
KDM4E B2RXH2 6/20 0.72
ALDH1A1 P00352 10/20 0.70
HSD17B10 Q99714 7/20 0.70
GAA P10253 8/20 0.65
KMT2A Q03164 2/20 0.65
GLA P06280 4/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
CACNA1G O43497 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL13091145 0.92 TSHR (1.00) TSHRPOLBMAPTKDM4EALDH1A1
SCHEMBL13091095 0.91 TSHR (0.82) TSHRPOLBMAPTKDM4EALDH1A1
SCHEMBL13091099 0.88 ALDH1A1 (0.84) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL13091048 0.87 TSHR (0.91) TSHRPOLBMAPTKDM4EALDH1A1
SCHEMBL13091151 0.85 SMN1; SMN2 (0.78) TSHRPOLBMAPTKDM4EALDH1A1
SCHEMBL13091072 0.83 ALDH1A1 (0.84) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL13091075 0.83 ALDH1A1 (0.84) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL13091015 0.77 GAA (0.85) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL13942453 0.76 TSHR (0.52) TSHRPOLBMAPTKDM4EALDH1A1
SCHEMBL13091011 0.76 GAA (0.86) TSHRMAPTKDM4EALDH1A1HSD17B10

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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD TSHR 4664/4885POLB 2440/4885MAPT 2663/4885

“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.