SCHEMBL347218

SCHEMBL347218

CC(C)(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NC(C)(C)C)o3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SRPK1 Q96SB4 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNT1 Q5JUK3 1/20 0.35
CHRM2 P08172 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
SCHEMBL347123 0.90 KMT2A (0.38) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL347244 0.90 HRH3 (0.40) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL348585 0.90 MAPK1 (0.42) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL347255 0.89 TSHR (0.43) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL348005 0.86 EPHX2 (0.40) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL347576 0.86 EPHX2 (0.40) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL347482 0.83 PDK1 (0.43) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL1019900 0.83 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL19128077 0.78 MAPK1 (0.41) HRH3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL348063 0.77 PDK1 (0.44) HRH3ALDH1A1NPSR1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US claimed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP claimed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US claimed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 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 (5 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 HRH3 1830/4885ALDH1A1 1591/4885NPSR1 3068/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 HRH3 1830/4885ALDH1A1 1591/4885NPSR1 3068/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 HRH3 1830/4885ALDH1A1 1591/4885NPSR1 3068/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 HRH3 1145/4885ALDH1A1 595/4885NPSR1 248/4885
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 HRH3 1328/4885ALDH1A1 1156/4885NPSR1 712/4885

“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.