SCHEMBL7791409

SCHEMBL7791409

CC(=O)c1[nH]ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.39
MAP2 P11137 1/20 0.39
BACE1 P56817 1/20 0.39
BRD4 O60885 1/20 0.38
PADI4 Q9UM07 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SGK1 O00141 1/20 0.38
NOTUM Q6P988 1/20 0.37
BCAT2 O15382 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL27633472 0.84 MAPT (0.48) MAPTHTTBACE1BRD4PADI4
SCHEMBL1330600 0.84 MAPT (0.48) MAPTBACE1PADI4NOTUMBCAT2
SCHEMBL17604415 0.81 BCAT2 (0.50) MAPTMAP2BRD4BCAT2PARP1
SCHEMBL16007019 0.80 HTT (0.54) MAPTSMN1; SMN2HTTPADI4MEN1
SCHEMBL19952897 0.77 MAPT (0.54) MAPTSMN1; SMN2HSP90AA1HSP90AB1HTT
SCHEMBL6503664 0.76 ALDH1A1 (0.52) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL9223952 0.74 HNF4A (0.44) MAPTNOTUMBCAT2ALDH1A1
SCHEMBL29750764 0.74 CCNC (0.51) MAPTSMN1; SMN2HSP90AA1HSP90AB1HTT
SCHEMBL16056793 0.74 STAT3 (0.44) MAPTHTTPADI4MEN1KMT2A
SCHEMBL28820009 0.72 HTT (0.40) MAPTSMN1; SMN2HTTPADI4MEN1

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
CN-110841033-A Traditional Chinese medicine health-care waistband for preventing and treating blood deficiency and cold coagulation type dysmenorrhea and preparation method thereof 河北中医学院 2020-02-28 CN disclosed
CN-109020814-A A kind of polysubstituted 10- hydroxyl is luxuriant and rich with fragrance and its derivative and its synthetic method 南开大学 2018-12-18 CN disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 MAPT 4280/4885SMN1; SMN2 3907/4885HSP90AA1 3500/4885

“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.