SCHEMBL2702309

SCHEMBL2702309

O=C(CC(=O)Oc1ccccc1)Nc1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ GLA P06280 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL2701853 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3983141 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2701806 0.81 KMT2A (0.60) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2698269 0.80 POLB (0.70) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2700452 0.79 KMT2A (0.53) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL2700751 0.78 RNF4 (0.49) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2698758 0.78 KMT2A (0.62) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL6819134 0.78 MAPT (0.49) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL2699362 0.77 MAOA (0.58) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2701228 0.77 MAPK1 (0.56) RAB9AMEN1KMT2ANPSR1NPC1

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 3414/4885RAB9A 4295/4885

“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.

Send feedback