SCHEMBL12326657

SCHEMBL12326657

CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HTT P42858 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RXFP1 Q9HBX9 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NLRP3 Q96P20 2/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ APP P05067 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 2/20 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
SCHEMBL14105580 0.91 BAZ1A (0.55) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL13844331 0.88 RAB9A (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14105738 0.87 MAPT (0.56) MAPTALDH1A1HTTSMN1; SMN2RXFP1
SCHEMBL12325810 0.87 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2RXFP1
SCHEMBL16501704 0.86 RORC (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL13844364 0.85 HTT (0.53) MAPTALDH1A1HTTSMN1; SMN2RXFP1
SCHEMBL14922027 0.84 MCHR1 (0.46) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3718605 0.84 MAPT (0.52) MAPTALDH1A1HTTSMN1; SMN2RXFP1
SCHEMBL4055090 0.84 HTT (0.65) MAPTALDH1A1HTTSMN1; SMN2RXFP1
SCHEMBL13844444 0.83 RAB9A (0.63) MAPTALDH1A1HTTSMN1; SMN2RXFP1

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-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 — — US 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
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 (3 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 4415/4885ALDH1A1 3948/4885HTT 3865/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 MAPT 4703/4885ALDH1A1 3673/4885HTT 4281/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB MAPT 4415/4885ALDH1A1 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.

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