SCHEMBL5166929

SCHEMBL5166929

CCCN(CC)C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
ALDH1A1 P00352 3/20 0.68
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.62
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
OPRD1 P41143 3/20 0.54
MLYCD O95822 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
LMNA P02545 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50

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
SCHEMBL1003735 0.92 TP53 (0.68) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL11212992 0.92 HPGD (0.72) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL1005865 0.89 HPGD (0.82) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL2614245 0.89 HPGD (0.71) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL72112 0.88 HPGD (0.85) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL6919327 0.87 HPGD (0.74) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL1003828 0.87 HPGD (0.66) HPGDALDH1A1GAAMAPTHDAC1
SCHEMBL11213668 0.87 HPGD (0.69) HPGDALDH1A1GAAMAPTHDAC1
Hydrochloric Acid SCHEMBL8527466 0.86 HPGD (0.81) HPGDALDH1A1GAAMAPTHDAC1
Hydrochloric Acid SCHEMBL6612619 0.86 HPGD (0.81) HPGDALDH1A1GAAMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20220177416-A1 PREPARING METHOD OF COMPOUNDS INCLUDING AMIDE GROUP FROM TERTIARY AMINE Research & Business Foundation Sungkyunkwan University (KR) 2022-06-09 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20220177416-A1 PREPARING METHOD OF COMPOUNDS INCLUDING AMIDE GROUP FROM TERTIARY AMINE TYR, NAT1, SAT1 HPGD 3544/4885ALDH1A1 2021/4885GAA 1094/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HPGD 1845/4885ALDH1A1 846/4885GAA 3532/4885
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK HPGD 1046/4885ALDH1A1 945/4885GAA 3853/4885

“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.