SCHEMBL8338328

SCHEMBL8338328

On1c(-c2ccco2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KDM4E B2RXH2 10/20 0.61
HPGD P15428 9/20 0.61
HSD17B10 Q99714 8/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 8/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 3/20 0.52
LMNA P02545 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 6/20 0.51
ALOX15 P16050 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 3/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL12326651 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12326656 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12325447 0.80 PIK3R1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL4622963 0.80 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12325415 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL10814931 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12325295 0.77 MAPT (0.42) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL12326654 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL14105174 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL6281649 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10TP53

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-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
WO-2004041209-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2004-05-21 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-20110306611-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885KDM4E 360/4885HPGD 2406/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885KDM4E 360/4885HPGD 2406/4885

“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.