SCHEMBL2701853

SCHEMBL2701853

O=C(CC(=O)Oc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CXCR1 P25024 1/20 0.54
▸ CXCR2 P25025 1/20 0.54
▸ KLK7 P49862 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ FNTA P49354 1/20 0.50

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
SCHEMBL2698758 0.84 KMT2A (0.62) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL6819134 0.84 MAPT (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL2701806 0.84 KMT2A (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2700751 0.84 RNF4 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2702309 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20942366 0.83 RNF4 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 0.80 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20620003 0.79 MEN1 (0.71) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A
Phenyl 4-Fluorophenylcarbamate SCHEMBL27580166 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL680052 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KLK7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 ALDH1A1 533/4885SMN1; SMN2 3414/4885CXCR1 4842/4885

“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.

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