SCHEMBL4560019

SCHEMBL4560019

C#CN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA2C P18825 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
LMNA P02545 1/20 0.39
NR3C2 P08235 1/20 0.38
MLYCD O95822 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL3470051 0.84 HTT (0.57) TDP1RAB9AALDH1A1KMT2ANPSR1
SCHEMBL4559813 0.82 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL10566627 0.82 L3MBTL1 (0.47) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL483415 0.81 NPSR1 (0.44) L3MBTL1TDP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11682975 0.80 SMN1; SMN2 (0.46) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL2394240 0.79 NPSR1 (0.43) L3MBTL1TDP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2866274 0.78 NPSR1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL11011944 0.78 NPSR1 (0.41) L3MBTL1TDP1RAB9AADRA2CALDH1A1
SCHEMBL14463252 0.77 RAB9A (0.43) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL11225960 0.77 L3MBTL1 (0.44) L3MBTL1TDP1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
US-9563075-B2 Method for manufacturing liquid crystal display device provided with front plate, and liquid crystal display device provided with front plate Konica Minolta, Inc. (JP) 2017-02-07 US disclosed
US-8632863-B2 Polymer film, optically-compensatory film, process for producing the same, polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2014-01-21 US disclosed
US-20130222720-A1 METHOD FOR MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE PROVIDED WITH FRONT PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE PROVIDED WITH FRONT PLATE KONICA MINOLTA , INC. (JP) 2013-08-29 US disclosed
US-20120327343-A1 POLYMER FILM, OPTICALLY-COMPENSATORY FILM, PROCESS FOR PRODUCING THE SAME, POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 (1 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885TDP1 3892/4885RAB9A 557/4885

“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.