SCHEMBL10247032

SCHEMBL10247032

CC(=O)Oc1ccccc1C(=O)Nc1cc(C)cc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.45
KCNK9 Q9NPC2 3/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL2698794 0.88 KMT2A (0.55) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL5041365 0.83 KMT2A (0.52) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL10192623 0.77 KMT2A (0.68) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL331634 0.77 FADS1 (0.58) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL11796549 0.76 KDM4E (0.58) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL11594925 0.74 DHODH (0.50) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL2700835 0.74 ALDH1A1 (0.65) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL11791718 0.74 KCNK3 (0.52) KCNK3KCNK9KMT2AMEN1ALDH1A1
SCHEMBL133550 0.73 P2RX1 (0.63) CYP1A2CYP2C19MAPT
SCHEMBL2700947 0.73 RAB9A (0.62) KMT2AMEN1ALDH1A1KDM4EHPGD

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 KCNK3 4030/4885KCNK9 4478/4885FNTA 909/4885

“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.