SCHEMBL347807

SCHEMBL347807

CC(C)(C)NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)c(Cl)c3)CC2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 1/20 0.42
PDK1 Q15118 3/20 0.42
PDK2 Q15119 3/20 0.42
PDK3 Q15120 3/20 0.42
PDK4 Q16654 3/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 3/20 0.40
CACNA1I Q9P0X4 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
USP30 Q70CQ3 1/20 0.38
GSK3B P49841 2/20 0.38
CACNA1H O95180 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL347867 0.91 TP53 (0.43) HTTKMT2AMEN1TP53MAPT
SCHEMBL347482 0.90 PDK1 (0.43) HTTKMT2AMEN1PDK1PDK2
SCHEMBL348063 0.90 PDK1 (0.44) HTTKMT2AMEN1PDK1PDK2
SCHEMBL346166 0.89 PDK1 (0.42) HTTKMT2AMEN1POLBPDK1
SCHEMBL346167 0.88 PDK1 (0.41) HTTKMT2AMEN1PDK1PDK2
SCHEMBL347808 0.88 PDK1 (0.41) HTTKMT2AMEN1POLBPDK1
SCHEMBL348091 0.88 PDK1 (0.42) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL346243 0.88 PDK1 (0.41) HTTKMT2AMEN1PDK1PDK2
SCHEMBL1017763 0.86 HTT (0.55) HTTKMT2AMEN1POLBTP53
SCHEMBL348230 0.86 PDK1 (0.39) HTTKMT2AMEN1PDK1PDK2

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 HTT 4244/4885KMT2A 729/4885MEN1 3539/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 HTT 4244/4885KMT2A 729/4885MEN1 3539/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 HTT 4244/4885KMT2A 729/4885MEN1 3539/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 HTT 4633/4885KMT2A 1900/4885MEN1 3565/4885
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 HTT 1993/4885KMT2A 4136/4885MEN1 3167/4885

“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.