SCHEMBL517158

SCHEMBL517158

Clc1ncccc1Br.O=S(=O)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 4/20 0.42
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
NFE2L2 Q16236 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDC25B P30305 2/20 0.37
S100A4 P26447 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL29622282 0.89
SCHEMBL122934 0.89
Formaldehyde SCHEMBL28292213 0.87 SMN1; SMN2 (0.45) LMNASMN1; SMN2EGFRTRIM24TRIM33
Formic Acid SCHEMBL27951317 0.82 TRIM24 (0.47) LMNASMN1; SMN2EGFRTRIM24TRIM33
SCHEMBL29132983 0.77 TRIM24 (0.43) LMNASMN1; SMN2EGFRTRIM24TRIM33
SCHEMBL937654 0.75 TRPV4 (0.39) TRIM24TRIM33MEN1KMT2ATDP1
SCHEMBL349118 0.72 TRPV4 (0.51) LMNASMN1; SMN2NFE2L2MEN1KMT2A
SCHEMBL29435677 0.72 TRPV4 (0.51) LMNASMN1; SMN2NFE2L2MEN1KMT2A
SCHEMBL11521127 0.71 CA2 (0.52) TDP1ALDH1A1
SCHEMBL1742387 0.71 CA1 (0.56) LMNASMN1; SMN2NFE2L2MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
CN-103339111-B Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG (CH) 2015-12-16 CN disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
CN-103339111-A Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG 2013-10-02 CN disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY LMNA 2697/4885SMN1; SMN2 4695/4885EGFR 2169/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY LMNA 2697/4885SMN1; SMN2 4695/4885EGFR 2169/4885

“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.