SCHEMBL12325422

SCHEMBL12325422

O=[N+]([O-])c1ccc2nc(-c3cccc(Br)c3)n(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NLRP3 Q96P20 1/20 0.55
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 2/20 0.49
AHR P35869 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PITRM1 Q5JRX3 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP13 P45452 1/20 0.46
NPBWR1 P48145 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
SCHEMBL12325450 0.88 NPBWR1 (0.56) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL12325819 0.86 RAB9A (0.56) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL12325963 0.86 MAPT (0.53) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL4055090 0.86 HTT (0.65) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL13844444 0.86 RAB9A (0.63) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL4053810 0.85 RAB9A (0.49) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL12325808 0.83 RAB9A (0.53) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL14105026 0.82 MEN1 (0.53) HTTSMN1; SMN2NLRP3MEN1KMT2A
SCHEMBL12325810 0.82 ALDH1A1 (0.48) MAPTHTTSMN1; SMN2NLRP3MEN1
SCHEMBL14105729 0.82 ALDH1A1 (0.57) MAPTHTTSMN1; SMN2MEN1KMT2A

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 3 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-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

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 MAPT 4415/4885HTT 3865/4885SMN1; SMN2 4868/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB MAPT 4415/4885HTT 3865/4885SMN1; SMN2 4868/4885

“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.