SCHEMBL1464280

SCHEMBL1464280

CCOc1ccc(C(C[N+](=O)[O-])Sc2ccccc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
NPSR1 Q6W5P4 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
MAPK1 P28482 3/20 0.70
KDM4E B2RXH2 2/20 0.70
APOBEC3G Q9HC16 2/20 0.70
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SERPINH1 P50454 2/20 0.51
HSP90AA1 P07900 1/20 0.45
AGTR1 P30556 1/20 0.45
ATM Q13315 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
SCHEMBL30605805 0.87 MAPT (0.91) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL2672236 0.87 MAPT (0.91) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL12827637 0.81 MAPT (0.46) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL1258527 0.72 MAPK1 (1.00) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL10439991 0.67 MAPT (0.47) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL29045042 0.66 TDP1 (0.59) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL10590749 0.66 TDP1 (0.43) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL31070256 0.65 PTGS2 (0.44) MAPTTDP1ALDH1A1HPGDSERPINH1
SCHEMBL29045032 0.65 MAPT (0.66) MAPTNPSR1TDP1MAPK1KDM4E
SCHEMBL4725978 0.65 MAPK1 (0.66) MAPTNPSR1TDP1MAPK1KDM4E

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 MAPT 3224/4885NPSR1 3985/4885TDP1 1450/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 MAPT 3850/4885NPSR1 3746/4885TDP1 1906/4885

“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.