SCHEMBL1125092

SCHEMBL1125092

N#Cc1cccc(CBr)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 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
SCHEMBL2809185 0.87 CYP1A2 (0.39) SMN1; SMN2TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL3644296 0.83 ESR2 (0.40) SMN1; SMN2HIF1ATSHRCYP19A1CYP1A1
SCHEMBL29513232 0.80 CYP19A1 (0.46) SMN1; SMN2TSHRCYP19A1CYP1A1CYP1A2
SCHEMBL899 0.80 CYP19A1 (0.46) SMN1; SMN2TSHRCYP19A1CYP1A1CYP1A2
SCHEMBL5684070 0.80 ANPEP (0.46) SMN1; SMN2TSHRCYP19A1ALDH1A1MAPT
SCHEMBL584957 0.79 CYP1A1 (0.39) SMN1; SMN2MAOBTSHRCYP1A1CYP1A2
SCHEMBL3053661 0.79 TSHR (0.35) SMN1; SMN2TSHRCYP19A1CYP1A1CYP1A2
SCHEMBL11524213 0.79 GABRA1 (0.41) SMN1; SMN2HIF1AMAOAMAOBTSHR
SCHEMBL1232356 0.79 GABRA1 (0.37) SMN1; SMN2TSHRCYP19A1CYP1A1CYP1A2
SCHEMBL6958245 0.79 CA1 (0.37) SMN1; SMN2HIF1AMAOAMAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1687034-A Synthesis method of 4-phthalimide methyl phthalonitrile UNIV FUZHOU (CN) 2005-10-26 CN claimed
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
CN-1687034-A Synthesis method of 4-phthalimide methyl phthalonitrile UNIV FUZHOU (CN) 2005-10-26 CN 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 SMN1; SMN2 4482/4885HIF1A 1394/4885MAOA 2684/4885

“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.