SCHEMBL12325416

SCHEMBL12325416

COC(=O)c1ccc2nc(-c3ccco3)n(O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALOX15 P16050 3/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TRIM24 O15164 1/20 0.42
TP53 P04637 2/20 0.41

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
SCHEMBL14105218 0.86 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL14105174 0.85 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL12325415 0.84 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL12326651 0.76 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL12325447 0.76 PIK3R1 (0.52) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL8338328 0.73 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL12325772 0.73 CHEK1 (0.53) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL12326654 0.73 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EALOX15MAPT
SCHEMBL3596405 0.70 NPC1 (0.61) ALDH1A1KDM4EALOX15MAPTSMN1; SMN2
SCHEMBL5329593 0.69 KMT2A (0.58) ALDH1A1TSHRKDM4ESMN1; SMN2PTGS1

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
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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 (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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885TSHR 3810/4885KDM4E 360/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885TSHR 3810/4885KDM4E 360/4885

“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.