SCHEMBL2489145

SCHEMBL2489145

NC(=O)C(Br)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.41
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PTPRC P08575 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL3396782 0.82 LMNA (0.55) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL29410859 0.79 LMNA (0.51) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL2027517 0.79 LMNA (0.51) LMNAGAAPTGS1CTNNB1WNT3A
Nitrous Acid SCHEMBL28941706 0.78 LMNA (0.46) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL118007 0.76 LMNA (0.60) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL27535691 0.76 LMNA (0.60) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL10137791 0.75 LMNA (0.55) LMNAGAAPTGS1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL1267047 0.74 LMNA (0.58) LMNAGAAPTGS1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL5168765 0.74 LMNA (0.58) LMNAGAAPTGS1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL4002566 0.74 LMNA (0.58) LMNAGAAPTGS1CTNNB1WNT3A

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
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 LMNA 3399/4885GAA 168/4885PTGS1 1977/4885

“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.