SCHEMBL19749129

SCHEMBL19749129

NCCCN(CCCO)OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.48
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL26892136 0.87 ADRA2C (0.47) ADRA2CTDP1LMNAF2TSHR
SCHEMBL11468204 0.84 CYP4A11 (0.44) TDP1ALDH1A1LMNATSHRKMT2A
SCHEMBL11850307 0.78 LMNA (0.51) TDP1LMNAF2TSHRSLC6A3
SCHEMBL21559897 0.77 TSHR (0.42) ADRA2CTDP1ALDH1A1LMNAF2
SCHEMBL27851129 0.76 LMNA (0.50) TDP1ALDH1A1LMNAF2TSHR
SCHEMBL28429762 0.75 CES2 (0.49) TDP1ALDH1A1LMNATSHRMAPK1
SCHEMBL17361235 0.74 ADRA2C (0.49) ADRA2CTDP1ALDH1A1LMNAKMT2A
SCHEMBL28026405 0.74 LMNA (0.55) TDP1ALDH1A1LMNAF2TSHR
SCHEMBL8604492 0.74 LMNA (0.47) TDP1ALDH1A1LMNAF2TSHR
SCHEMBL6463236 0.72 TDP1 (0.40) TDP1ALDH1A1LMNAF2TSHR

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-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 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 (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-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ADRA2C 3157/4885TDP1 3824/4885ALDH1A1 626/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ADRA2C 3157/4885TDP1 3824/4885ALDH1A1 626/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ADRA2C 3157/4885TDP1 3824/4885ALDH1A1 626/4885

“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.