SCHEMBL12325437

SCHEMBL12325437

NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NLRP3 Q96P20 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
AHR P35869 1/20 0.49
CASP6 P55212 1/20 0.49

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
SCHEMBL13844380 0.90 RAB9A (0.49) MAPTRAB9ACYP1A2CYP2C9MEN1
SCHEMBL14105822 0.88 PPARG (0.55) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL3718605 0.86 MAPT (0.52) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL13844364 0.85 HTT (0.53) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL14105738 0.85 MAPT (0.56) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL4055090 0.84 HTT (0.65) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL13844444 0.83 RAB9A (0.63) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL12325820 0.83 RAB9A (0.54) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL12325784 0.82 HTT (0.50) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9
SCHEMBL14105332 0.81 MAPT (0.49) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C9

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 SMN1; SMN2 4868/4885MAPT 4415/4885RAB9A 4067/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB SMN1; SMN2 4868/4885MAPT 4415/4885RAB9A 4067/4885

“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.