SCHEMBL731619

SCHEMBL731619

CC(N)c1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
METAP2 P50579 1/20 0.45
PARP1 P09874 2/20 0.45
HTT P42858 1/20 0.45
BCAT2 O15382 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.40
CTNNB1 P35222 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
Hydrochloric Acid SCHEMBL3683840 0.98 IRAK4 (0.50) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL105262 0.87 IRAK4 (0.55) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL31632660 0.87 IRAK4 (0.55) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL15163057 0.86 IRAK4 (0.47) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL9783644 0.85 IRAK4 (0.53) IRAK4KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL28294057 0.85 IRAK4 (0.53) IRAK4KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL7849679 0.85 IRAK4 (0.53) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL1449566 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL10726252 0.83 IRAK4 (0.43) IRAK4KDM4EALDH1A1TSHRCYP1A2
SCHEMBL28814411 0.83 IRAK4 (0.43) IRAK4KDM4EALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048214-A The preparation method of new anti-arrhythmic II HAESSLE AB (SE) 1991-01-02 CN claimed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
CN-117460507-A Compound targeting fibroblast activation protein and method of use thereof 普渡研究基金会 2024-01-26 CN disclosed
EP-4308110-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF Purdue Research Foundation (US) 2024-01-24 EP disclosed
CN-111012918-B Cholesterol biguanide conjugate with anti-tumor and carrier effects and application of salt thereof in microparticle administration preparation 郑州大学 2023-04-07 CN disclosed
WO-2022197567-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION (US) 2022-09-22 WO disclosed
CN-111012918-A Cholesterol biguanide conjugate with anti-tumor and carrier effects and application of salt thereof in microparticle administration preparation 郑州大学 2020-04-17 CN disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
US-7655396-B1 Methods for detecting receptor modulator activity ALLERGAN, INC. (US) 2010-02-02 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-5010108-A Treatment of gastrointestinal disorders POLI INDUSTRIA CHIMICA S.P.A. (IT) 1991-04-23 US disclosed
CN-1048214-A The preparation method of new anti-arrhythmic II HAESSLE AB (SE) 1991-01-02 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 (4 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B IRAK4 4013/4885KDM4E 4735/4885ALDH1A1 1816/4885
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 IRAK4 2307/4885KDM4E 610/4885ALDH1A1 353/4885
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 IRAK4 692/4885KDM4E 3628/4885ALDH1A1 2246/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B IRAK4 4013/4885KDM4E 4735/4885ALDH1A1 1816/4885

“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.