SCHEMBL3666032

SCHEMBL3666032

Nc1ccc(CNNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPK1 P28482 4/20 0.60
MITF O75030 1/20 0.56
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTDSP1 Q9GZU7 1/20 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
SCHEMBL7020596 0.86 MEN1 (0.57) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL3667563 0.86 MITF (0.70) MAPTMEN1KMT2AMAPK1MITF
SCHEMBL27980451 0.77 MAPT (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL243259 0.76 MEN1 (1.00) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL8353349 0.76 MEN1 (1.00) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL5489715 0.74 MAPT (0.58) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL27562350 0.74 KMT2A (0.52) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL27805395 0.73 MAPT (0.47) MAPTMEN1KMT2AMAPK1TDP1
4-Aminophenol SCHEMBL5925458 0.72 MEN1 (0.63) MAPTMEN1KMT2AMAPK1MITF
SCHEMBL16501694 0.72 MAPT (0.59) MAPTMEN1KMT2AMAPK1MITF

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
EP-2139474-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2010-01-06 EP disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
WO-2009005551-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2009-01-08 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 (1 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-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 MAPT 4703/4885MEN1 4383/4885KMT2A 929/4885

“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.