SCHEMBL12326596

SCHEMBL12326596

O=C(Nc1cccc2c1CCCC2)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
CETP P11597 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51

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
SCHEMBL13972746 0.87 POLB (0.55) USP2POLBMAPTHDAC3HDAC1
SCHEMBL12323604 0.79 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28258088 0.79 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28256535 0.79 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL10114473 0.78 USP2 (0.52) USP2POLBMAPTALDH1A1TSHR
SCHEMBL10114860 0.78 USP2 (0.50) USP2POLBMAPTALDH1A1TSHR
SCHEMBL14424278 0.78 USP2 (0.50) USP2POLBMAPTALDH1A1TSHR
SCHEMBL14424759 0.78 USP2 (0.52) USP2POLBMAPTALDH1A1TSHR
SCHEMBL4877265 0.78 ALDH1A1 (0.70) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL6627142 0.78 ALDH1A1 (0.65) POLBALDH1A1TSHRMEN1KMT2A

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 6 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-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB USP2 2280/4885POLB 679/4885MAPT 4415/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB USP2 2280/4885POLB 679/4885MAPT 4415/4885

“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.