SCHEMBL13844331

SCHEMBL13844331

CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 3/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ MMP13 P45452 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PPARG P37231 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL14105580 0.91 BAZ1A (0.55) RAB9AMAPTNPC1MCL1SMN1; SMN2
SCHEMBL14922043 0.91 MMP2 (0.51) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL13848702 0.91 MMP2 (0.50) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL12325432 0.90 MMP2 (0.58) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL14105452 0.90 MMP2 (0.50) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL13844317 0.89 MMP2 (0.52) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL14922009 0.89 MMP2 (0.52) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL13959495 0.89 MMP2 (0.49) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL13844332 0.88 PIN1 (0.54) RAB9AMAPTMMP2MMP9MMP8
SCHEMBL13844326 0.88 MMP2 (0.51) RAB9AMAPTMMP2MMP9MMP8

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 4 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-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 (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 RAB9A 4067/4885MAPT 4415/4885MMP2 1378/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 RAB9A 3873/4885MAPT 4703/4885MMP2 1060/4885

“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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