SCHEMBL12325232

SCHEMBL12325232

O=c1ccoc2c(F)c(F)c(F)c(F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HBB P68871 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
FTO Q9C0B1 2/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL31354750 0.71 MAOB (0.38) LMNAALDH1A1MAPTHPGDFTO
SCHEMBL31251227 0.69 LMNA (0.34) LMNAALDH1A1HTTNPC1TP53
SCHEMBL31251442 0.69 PON1 (0.35) LMNAALDH1A1HTTNPC1TP53
SCHEMBL31107492 0.69 LMNA (0.32) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL30189618 0.67 CYP19A1 (0.50) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL8406816 0.67 LMNA (0.42) LMNAALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL31474121 0.66 MEN1 (0.41) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL18876029 0.65
SCHEMBL31107521 0.64 LMNA (0.43) LMNAALDH1A1CYP19A1
SCHEMBL29960477 0.64 AR (0.49) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

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-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB LMNA 3323/4885ALDH1A1 3948/4885HTT 3865/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB LMNA 3323/4885ALDH1A1 3948/4885HTT 3865/4885

“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.