SCHEMBL5880146

SCHEMBL5880146

CON(C)C(=O)c1ccccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
CTSD P07339 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TP53 P04637 1/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MLYCD O95822 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL13806872 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKMT2ATSHR
SCHEMBL5838970 0.86 ALDH1A1 (0.35) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL4610471 0.85 LMNA (0.46) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL29434808 0.82 MEN1 (0.50) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL6489038 0.81 MAPT (0.51) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL10099703 0.80 HPGD (0.40) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL6779096 0.80 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL104703 0.79 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ATSHRCFTR
SCHEMBL30945155 0.79 ALDH1A1 (0.67) ALDH1A1LMNAKMT2ATSHRCFTR
SCHEMBL306847 0.77 HPGD (0.54) ALDH1A1HPGDKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 ALDH1A1 1095/4885LMNA 4281/4885HPGD 2418/4885

“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.