SCHEMBL1125095

SCHEMBL1125095

N#Cc1ccccc1C(Br)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 4/20 0.41
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
ESR2 Q92731 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
CYP3A4 P08684 1/20 0.33
CCR1 P32246 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11613250 0.86 TSHR (0.44) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL11414735 0.82 TSHR (0.44) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL507010 0.78 TSHR (0.46) TRPA1ALDH1A1L3MBTL1TSHRCA1
SCHEMBL7351690 0.78 ALDH1A1 (0.45) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL29974545 0.78 TSHR (0.46) TRPA1ALDH1A1L3MBTL1TSHRCA1
SCHEMBL17465795 0.77 ALDH1A1 (0.47) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL4078370 0.77 TSHR (0.48) ALDH1A1L3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL30759997 0.75 TRPA1 (0.47) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL28910656 0.75 ALDH1A1 (0.39) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL8141416 0.75 TRPA1 (0.47) TRPA1ALDH1A1L3MBTL1TSHRCYP1A2

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 TRPA1 3795/4885ALDH1A1 1202/4885L3MBTL1 2473/4885

“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.