SCHEMBL2820879

SCHEMBL2820879

CCOC(=O)CC(Br)C(=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 4/20 0.41
GSK3B P49841 1/20 0.41
F2 P00734 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL1361624 0.84 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1CASP1MEN1
Hydrochloric Acid SCHEMBL2817198 0.82 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL2818840 0.78 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL11867222 0.75 SMN1; SMN2 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5749082 0.75 ALDH1A1 (0.55) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL1362055 0.75 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1CASP1MEN1
Hydrochloric Acid SCHEMBL27601971 0.74 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL27601972 0.74 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL1455540 0.74 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1CASP1MEN1
SCHEMBL2817910 0.74 ALDH1A1 (0.61) ALDH1A1HPGDNPSR1CASP1MEN1

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 ALDH1A1 4600/4885HPGD 3358/4885NPSR1 822/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 ALDH1A1 4245/4885HPGD 3318/4885NPSR1 718/4885

“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.