SCHEMBL2701228

SCHEMBL2701228

Cc1cc(C)cc(NC(=O)CC(=O)Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ HTT P42858 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 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
SCHEMBL2700452 0.82 KMT2A (0.53) MAPK1POLBNPSR1KMT2AMEN1
SCHEMBL3984703 0.81 ALDH1A1 (0.63) MAPK1TDP1CYP1A2CYP3A4POLB
SCHEMBL6819134 0.80 MAPT (0.49) TDP1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL2698269 0.79 POLB (0.70) MAPK1POLBKMT2AMEN1HTT
SCHEMBL11668327 0.78 ALDH1A1 (0.63) MAPK1TDP1CYP1A2CYP3A4POLB
SCHEMBL2701853 0.77 ALDH1A1 (0.54) CYP1A2CYP3A4NPSR1KMT2AMEN1
SCHEMBL2698758 0.77 KMT2A (0.62) TDP1POLBKMT2AMEN1HTT
SCHEMBL2700751 0.77 RNF4 (0.49) TDP1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL2701806 0.77 KMT2A (0.60) POLBKMT2AMEN1HTTATM
SCHEMBL2702309 0.77 ALDH1A1 (0.58) MAPK1TDP1POLBNPSR1KMT2A

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 MAPK1 4016/4885TDP1 2701/4885CYP1A2 107/4885

“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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