SCHEMBL2701324

SCHEMBL2701324

O=C(Nc1ccccc1F)c1ccccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.76
▸ LMNA P02545 5/20 0.76
▸ NPC1 O15118 4/20 0.76
▸ TP53 P04637 3/20 0.76
▸ GAA P10253 1/20 0.76
▸ KDM4E B2RXH2 5/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ RAB9A P51151 4/20 0.61
▸ TSHR P16473 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KCNMA1 Q12791 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ AR P10275 1/20 0.58
▸ AKR1C3 P42330 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KLK7 P49862 1/20 0.57

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
SCHEMBL15463572 0.89 HTT (0.70) HTTLMNANPC1GAAALDH1A1
SCHEMBL7678596 0.88 LMNA (0.88) HTTLMNANPC1TP53GAA
SCHEMBL31098214 0.87 HTT (0.73) HTTLMNANPC1TP53GAA
SCHEMBL845142 0.86 LMNA (1.00) HTTLMNANPC1TP53GAA
SCHEMBL15333340 0.85 KDM4E (0.78) HTTLMNANPC1TP53GAA
SCHEMBL28842312 0.85 LMNA (0.96) HTTLMNANPC1TP53GAA
SCHEMBL28842439 0.85 LMNA (0.96) HTTLMNANPC1TP53GAA
SCHEMBL2699444 0.84 HTT (0.69) HTTLMNANPC1TP53GAA
SCHEMBL15541786 0.84 HTT (0.64) HTTLMNANPC1TP53GAA
SCHEMBL27516656 0.84 LMNA (0.73) HTTLMNANPC1TP53GAA

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 5 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
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 HTT 3269/4885LMNA 3131/4885NPC1 2616/4885

“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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