SCHEMBL2115046

SCHEMBL2115046

Cc1c(CBr)cccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.32
KCNH2 Q12809 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IAPP P10997 1/20 0.31
CYP2C19 P33261 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR3C1 P04150 2/20 0.30
AKT1 P31749 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2116911 0.86 PDCD1 (0.44) LMNAALDH1A1GABRA1GABRB2MEN1
SCHEMBL1208112 0.74 MEN1 (0.37) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL7413781 0.74 CA12 (0.43) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL638392 0.73 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1209124 0.73 MEN1 (0.36) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL20564934 0.73 KMT2A (0.36) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL16429292 0.72 TSHR (0.33) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL6005339 0.72 TRPM8 (0.46) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL1974011 0.71 KMT2A (0.38) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL28449626 0.70 L3MBTL1 (0.42) LMNAALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 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 (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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 LMNA 1822/4885ALDH1A1 2718/4885ESR1 2440/4885

“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.