SCHEMBL6950900

SCHEMBL6950900

CC(=O)OC[C@H]1OC[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 6/20 0.33
CA9 Q16790 6/20 0.33
CA2 P00918 5/20 0.33
CA1 P00915 5/20 0.33
CA4 P22748 4/20 0.33
CA6 P23280 4/20 0.33
CA5A P35218 4/20 0.33

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
SCHEMBL6950898 1.00 SLC15A1 (0.42) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL3545841 0.83 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL3547093 0.83 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL3545846 0.83 ALDH1A1 (0.54) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL8626734 0.79 SLC15A1 (0.49) SLC15A1ALDH1A1LMNAMAPTTP53
SCHEMBL8524696 0.79 SLC15A1 (0.39) SLC15A1ALDH1A1
SCHEMBL8524414 0.79 SLC15A1 (0.39) SLC15A1ALDH1A1
SCHEMBL8524417 0.79 SLC15A1 (0.39) SLC15A1ALDH1A1
SCHEMBL8524692 0.79 SLC15A1 (0.39) SLC15A1ALDH1A1
SCHEMBL3546641 0.76 LMNA (0.43) SLC15A1LMNACYP3A4CYP2C9CYP2C19

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
EP-0994890-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP disclosed
US-6455507-B1 E.G., 2-BROMO-5,6-DICHLORO-1-BETA-D-RIBOPYRANOSYL-1H-BENZIMIDAZOLE; VIRICIDES, ESPECIALLY INFECTIONS OF HERPES AND CYTOMEGALO VIRUSES SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-20020094963-A1 BENZIMIDAZOLE DERIVATIVES GLAXO WELLCOME INC. 2002-07-18 US disclosed
EP-0994890-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-04-26 EP disclosed
WO-1998056761-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-12-17 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 (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-20020094963-A1 BENZIMIDAZOLE DERIVATIVES ZC3HAV1, BRPF3, BRD3 SLC15A1 3716/4885ALDH1A1 709/4885LMNA 3060/4885

“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.