SCHEMBL6000324

SCHEMBL6000324

C=C1C(=O)N(C)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.64
CES1 P23141 1/20 0.64
NR1H3 Q13133 8/20 0.54
NR1H2 P55055 6/20 0.54
EPHX2 P34913 2/20 0.53
RAB9A P51151 2/20 0.50
TRPA1 O75762 1/20 0.50
NPC1 O15118 1/20 0.50
MTOR P42345 1/20 0.50
LRRK2 Q5S007 1/20 0.47
DRD2 P14416 1/20 0.47
HTR6 P50406 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ERBB2 P04626 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL31107472 1.00 TTR (0.64) TTRCES1NR1H3NR1H2EPHX2
SCHEMBL13310851 0.88 CES1 (0.71) TTRCES1NR1H3NR1H2EPHX2
SCHEMBL16127516 0.82 TTR (0.75) TTRCES1NR1H3NR1H2EPHX2
SCHEMBL5175484 0.82 TTR (0.50) TTRCES1NR1H3NR1H2RAB9A
SCHEMBL13039623 0.78 TTR (0.69) TTRCES1EPHX2RAB9ATRPA1
SCHEMBL30077375 0.78 TTR (0.69) TTRCES1EPHX2RAB9ATRPA1
SCHEMBL28252336 0.78 CES1 (1.00) TTRCES1EPHX2RAB9ATRPA1
SCHEMBL12059596 0.78 TTR (0.69) TTRCES1NR1H3NR1H2EPHX2
SCHEMBL126628 0.78 CES1 (1.00) TTRCES1EPHX2RAB9ATRPA1
SCHEMBL2521380 0.77 CES1 (0.88) TTRCES1EPHX2RAB9ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106077-A1 Pin1-Modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. (US) 2006-05-18 US claimed
EP-1551396-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Pintex Pharmaceuticals, Inc. (US) 2005-07-13 EP claimed
WO-2005007123-A2 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US claimed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 WO claimed
US-20230183391-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
US-20230121798-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-20 US disclosed
US-20150129861-A1 ORGANIC MATERIAL FOR DEPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, DEPOSITION METHOD, AND MANUFACTURING METHOD FOR ORGANIC PHOTOELECTRONIC ONVERSION ELEMENT OBTAINED USING THE SAME FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20060106077-A1 Pin1-Modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. (US) 2006-05-18 US disclosed
EP-1551396-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Pintex Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
WO-2005007123-A2 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US disclosed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 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-20060106077-A1 Pin1-Modulating compounds and methods of use thereof PIN1, FKBP14, PIN4 TTR 4402/4885CES1 2801/4885NR1H3 1101/4885
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PIN1, FKBP14, PIN4 TTR 4402/4885CES1 2801/4885NR1H3 1101/4885
US-20230121798-A1 MATERIAL FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND OR10J3, CDH1, ICAM1 TTR 697/4885CES1 3473/4885NR1H3 1748/4885

“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.