SCHEMBL13115648

SCHEMBL13115648

CCOC(=O)Cc1nc(-c2ccc(C)s2)oc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 3/20 0.40
PPARA Q07869 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PPARG P37231 2/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MPI P34949 1/20 0.38
KEAP1 Q14145 1/20 0.38
CASP1 P29466 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13115803 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL11076346 0.86 SMN1; SMN2 (0.51) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13115601 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13115641 0.85 IKBKB (0.42) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13116048 0.84 MEN1 (0.43) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13116028 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL2824426 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL11080825 0.83 HSD17B10 (0.53) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13116096 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13115485 0.82 TARBP2 (0.48) ALDH1A1KDM4EKMT2AMEN1POLB

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 ALDH1A1 4600/4885KDM4E 801/4885KMT2A 1947/4885

“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.