SCHEMBL2818404

SCHEMBL2818404

COc1ccccc1C(=O)CN(C=O)C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
CTSD P07339 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTNNB1 P35222 3/20 0.48
WNT3A P56704 3/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC1 Q13547 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL8227137 0.81 CTNNB1 (0.53) ALDH1A1KMT2AHTTL3MBTL1CTNNB1
SCHEMBL2554328 0.78 NPC1 (0.58) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL29987209 0.77 NPC1 (0.83) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL15979734 0.77 CTNNB1 (0.71) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL21128714 0.77 NPC1 (0.83) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL7821787 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1HDAC8SMN1; SMN2
SCHEMBL3702934 0.75 NPC1 (0.64) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL878658 0.75 NPC1 (0.64) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL1448202 0.75 NPC1 (0.64) NPC1CTSDALDH1A1KMT2AHTT
SCHEMBL29738645 0.75 NPC1 (0.64) NPC1CTSDALDH1A1KMT2AHTT

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 5 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-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 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 (2 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 NPC1 1736/4885CTSD 3011/4885ALDH1A1 4600/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 NPC1 1096/4885CTSD 3174/4885ALDH1A1 4245/4885

“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.