SCHEMBL12326656

SCHEMBL12326656

On1c(-c2ccco2)nc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 6/20 0.48
HPGD P15428 6/20 0.48
GAA P10253 4/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.43
CASP1 P29466 1/20 0.42
USP2 O75604 1/20 0.40

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 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL8338328 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12325447 0.74 PIK3R1 (0.52) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12326654 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL14105174 0.71 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12325295 0.71 MAPT (0.42) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12325415 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL14105218 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12325772 0.69 CHEK1 (0.53) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL12325416 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA

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 3948/4885KDM4E 360/4885HSD17B10 3530/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885KDM4E 360/4885HSD17B10 3530/4885

“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.