SCHEMBL5879941

SCHEMBL5879941

Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(/C=N/NC(=O)Cc2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 7/20 0.43
HTT P42858 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
FFAR2 O15552 1/20 0.41
MAPK1 P28482 1/20 0.41
SGK1 O00141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK1D P48730 1/20 0.40
P2RX4 Q99571 1/20 0.40

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
SCHEMBL5879945 1.00 MEN1 (0.46) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5879981 0.93 POLB (0.46) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5879984 0.93 POLB (0.46) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5879892 0.92 LMNA (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5879896 0.92 LMNA (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5880290 0.90 ALDH1A1 (0.49) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5880286 0.90 ALDH1A1 (0.49) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5880163 0.90 CYP1A2 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5880161 0.90 CYP1A2 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5879876 0.88 LMNA (0.53) MEN1KMT2APOLBNPC1ALDH1A1

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 MEN1 4884/4885KMT2A 1234/4885POLB 887/4885

“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.