SCHEMBL400238

SCHEMBL400238

CN(C1CCCCC1)S(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTAFR P25105 1/20 0.53
NAMPT P43490 2/20 0.51
GPR55 Q9Y2T6 1/20 0.50
TSHR P16473 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL12188831 0.86 HTR2A (0.72) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13176112 0.84 HTR2A (0.73) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13995387 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13995368 0.81 HTR2A (0.62) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9303072 0.81 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4742374 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL19563418 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4159760 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL23884744 0.78 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL12169379 0.77 HTR2A (0.72) ALDH1A1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-7888383-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
EP-2268281-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS Abbott Laboratories (US) 2011-01-05 EP disclosed
US-20090221578-A1 Organic Compounds NOVARTIS AG (CH) 2009-09-03 US disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
EP-1971574-A2 BICYCLIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY OR ANTIALLERGIC AGENTS Novartis AG (CH) 2008-09-24 EP disclosed
WO-2007065684-A2 BICYCLIC HETEROYCLIC COMPOUNDS AS ANTIINFLAMMATORY OR ANTIALLERGIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
WO-1993015047-A1 AMINO ACID DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-08-05 WO disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 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-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP ALDH1A1 837/4885MEN1 4412/4885KMT2A 3711/4885
US-20090221578-A1 Organic Compounds DRD4, RDX, DRD1 ALDH1A1 723/4885MEN1 674/4885KMT2A 2372/4885

“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.