SCHEMBL3662654

SCHEMBL3662654

NC(=O)c1ccccc1-c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 1/20 0.58
PARP1 P09874 7/20 0.58
DHODH Q02127 3/20 0.58
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
GFER P55789 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HPSE Q9Y251 2/20 0.57
CHEK2 O96017 2/20 0.56
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL30412663 0.88 RAB9A (0.75) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL3698974 0.88 RAB9A (0.75) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL28321401 0.83 PARP1 (0.58) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL3663760 0.82 KDM4E (0.73) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL17372933 0.81 RAB9A (0.63) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL30335387 0.80 SMN1; SMN2 (0.64) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL28978359 0.80 SMN1; SMN2 (0.64) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL28322469 0.79 NPC1 (0.62) RAB9AALDH1A1HPGDKMT2APARP1
SCHEMBL6258371 0.78 KDM4E (0.55) KDM4ERAB9AALDH1A1HPGDKMT2A
Terephthalamide SCHEMBL2641517 0.78 CHEK2 (0.76) KDM4ERAB9AALDH1A1HPGDKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20110306611-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
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
EP-1742637-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2007-01-17 EP disclosed
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. 2006-07-20 US disclosed
WO-2006076009-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2006-07-20 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 (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 KDM4E 360/4885RAB9A 4067/4885ALDH1A1 3948/4885
US-20060160799-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB KDM4E 360/4885RAB9A 4067/4885ALDH1A1 3948/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 KDM4E 500/4885RAB9A 3873/4885ALDH1A1 3673/4885

“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.