SCHEMBL2582102

SCHEMBL2582102

N#CC(Br)C(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
POLB P06746 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLOD2 O00469 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL7262916 0.82 ALDH1A1 (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL13858392 0.81 ALDH1A1 (0.50) ALDH1A1APPGAAHCAR3HCAR2
Bromide SCHEMBL1807586 0.80 ALDH1A1 (0.57) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL5159831 0.79 ALDH1A1 (0.47) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2585322 0.79 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27792527 0.78 POLB (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL30285253 0.78 POLB (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL6545950 0.78 ALDH1A1 (0.50) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL395491 0.77 MDM2 (0.48) ALDH1A1POLBMAPTLMNAKMT2A
Bromide SCHEMBL3428970 0.77 ALDH1A1 (0.53) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 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 (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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ALDH1A1 582/4885APP 2723/4885GAA 3869/4885
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives IFNG, IL15, IL5 ALDH1A1 2097/4885APP 3145/4885GAA 3939/4885

“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.