SCHEMBL1463249

SCHEMBL1463249

NS(=O)(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
CYP1A2 P05177 2/20 1.00
CA2 P00918 10/20 0.72
CA12 O43570 9/20 0.72
CA1 P00915 9/20 0.72
CA9 Q16790 9/20 0.72
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.68
CA7 P43166 1/20 0.67
RAB9A P51151 3/20 0.66
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NOX1 Q9Y5S8 1/20 0.61
NPC1 O15118 1/20 0.59

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
SCHEMBL12305496 0.89 POLB (0.80) POLBCYP1A2CA2CA12CA1
SCHEMBL6673848 0.82 KDM4E (1.00) POLBCYP1A2CA2CA12CA1
SCHEMBL27483940 0.81 POLB (0.68) POLBCYP1A2CA2CA12CA1
SCHEMBL21751022 0.81 KDM4E (0.79) POLBCYP1A2CA2CA12CA1
SCHEMBL671546 0.80 CA2 (1.00) CYP1A2CA2CA12CA1CA9
SCHEMBL3406989 0.80 CA2 (0.70) POLBCYP1A2CA2CA12CA1
SCHEMBL672763 0.80 CA12 (1.00) POLBCYP1A2CA2CA12CA1
SCHEMBL28499329 0.80 KMT2A (1.00) CA2CA12CA1CA9MAPT
SCHEMBL1276481 0.80 KDM4E (0.82) POLBCYP1A2KDM4EMAPTRAB9A
SCHEMBL30393282 0.80 KDM4E (0.82) POLBCYP1A2KDM4EMAPTRAB9A

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 6 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
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
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
US-20100120754-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES OETTGEN PETER 2010-05-13 US disclosed
WO-2008066672-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) 2008-06-05 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 (2 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-20100120754-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES TEAD1, CREBBP, TEAD2 POLB 798/4885CYP1A2 3854/4885CA2 4355/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 POLB 752/4885CYP1A2 2189/4885CA2 3114/4885

“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.