SCHEMBL2486331

SCHEMBL2486331

CCNC(=O)c1ccccc1N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC3 O15379 1/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.47
PTGS1 P23219 1/20 0.47
BRD4 O60885 3/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHIA Q9BZP6 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL2484487 0.86 TSHR (0.57) TSHRALDH1A1TP53GAAMAPT
SCHEMBL2486733 0.84 L3MBTL1 (0.48) TSHRALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL7223362 0.83 KMT2A (0.44) TSHRALDH1A1TP53GAAMAPT
SCHEMBL31483721 0.82 HTT (0.64) TSHRALDH1A1KMT2AL3MBTL1HTT
SCHEMBL26417076 0.82 HTT (0.64) TSHRALDH1A1KMT2AL3MBTL1HTT
SCHEMBL962276 0.81 ALDH1A1 (0.62) TSHRALDH1A1TP53GAAMAPT
SCHEMBL2762506 0.81 KMT2A (0.52) ALDH1A1MAPTKMT2AL3MBTL1BRD4
SCHEMBL9549318 0.81 NAAA (0.67) TSHRALDH1A1SMN1; SMN2HDAC3L3MBTL1
Alcohol SCHEMBL6836573 0.81 GAA (0.56) TSHRALDH1A1TP53GAAMAPT
SCHEMBL28002176 0.79 GAA (0.64) TSHRALDH1A1TP53GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
EP-4217343-A1 A PHARMACEUTICAL SALT OF AN ARYLPYRROLE DERIVATIVE Sentinel Oncology Limited (GB) 2023-08-02 EP disclosed
WO-2021058754-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-04-01 WO disclosed
EP-3615525-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS Sentinel Oncology Limited (GB) 2020-03-04 EP disclosed
WO-2018197714-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-11-01 WO disclosed
EP-2381777-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-11-02 EP disclosed
EP-2365809-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-09-21 EP disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO disclosed
EP-1463733-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
EP-1463733-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-06 EP disclosed
WO-2003050064-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP TSHR 3546/4885ALDH1A1 4742/4885TP53 3685/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP TSHR 3546/4885ALDH1A1 4742/4885TP53 3685/4885

“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.