SCHEMBL2698562

SCHEMBL2698562

COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
RAB9A P51151 5/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 2/20 0.62
PKM P14618 1/20 0.62
GAA P10253 1/20 0.61
KMT2A Q03164 5/20 0.59
HTT P42858 2/20 0.57
MAPK1 P28482 1/20 0.56
PTPN1 P18031 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ATM Q13315 1/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL2700835 0.88 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL10192623 0.85 KMT2A (0.68) ALDH1A1RAB9AMAPTKMT2AHTT
SCHEMBL27901571 0.84 KMT2A (0.71) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2703394 0.84 LMNA (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2700947 0.84 RAB9A (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2699617 0.83 POLB (0.55) ALDH1A1RAB9AMAPTKMT2AATM
SCHEMBL6819232 0.83 CA1 (0.57) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2700957 0.83 KMT2A (0.55) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL11791117 0.82 MAPT (0.58) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL11789596 0.82 MAPT (0.58) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
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
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
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 533/4885RAB9A 4295/4885MAPT 3233/4885

“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.