SCHEMBL12827106

SCHEMBL12827106

CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.68
▸ NPSR1 Q6W5P4 5/20 0.68
▸ LMNA P02545 3/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ RECQL P46063 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.65
▸ MAPT P10636 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ GAA P10253 2/20 0.57
▸ USP2 O75604 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 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
SCHEMBL30950617 0.81 NPSR1 (0.80) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL30950630 0.81 NPSR1 (0.78) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL24445728 0.80 NPSR1 (0.77) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL29847323 0.80 NPSR1 (0.77) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL30950633 0.78 NPSR1 (0.74) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL30950634 0.76 NPSR1 (0.70) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL1463891 0.75 MMP1 (0.49) KMT2ANPSR1LMNAMEN1ALDH1A1
SCHEMBL4306451 0.73 ALDH1A1 (0.58) KMT2ANPSR1LMNAMEN1ALDH1A1
SCHEMBL30950611 0.73 NPSR1 (0.66) KMT2ANPSR1LMNAMEN1RECQL
SCHEMBL30950635 0.73 NPSR1 (0.66) KMT2ANPSR1LMNAMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
WO-2011014299-A2 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-02-03 — — WO 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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 KMT2A 1636/4885NPSR1 3746/4885LMNA 2173/4885

“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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