Sugi Predict

Sugi Predict / Compounds / SCHEMBL1019814

SCHEMBL1019814

SCHEMBL1019814

Cc1cc(NC(=O)Nc2ccc(C(=O)N3CCN(Cc4cccc(C(=O)NC(C)(C)C)c4)CC3)cc2F)c(C(F)(F)F)o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 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
SCHEMBL1019490 0.88 ALDH1A1 (0.50) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13896427 0.87 MEN1 (0.40) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1019162 0.85 MEN1 (0.44) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1017791 0.84 MEN1 (0.42) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1017788 0.84 MEN1 (0.42) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1020415 0.84 HTT (0.46) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1021709 0.84 ACKR3 (0.46) ACKR3SIGMAR1PRKAB2PRKAG1PRKAA2
SCHEMBL1019818 0.83 MEN1 (0.42) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1020048 0.83 MEN1 (0.42) ACKR3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1018852 0.83 MEN1 (0.42) ACKR3MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 — — US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 — — EP disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 — — EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 — — EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 — — WO disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 — — 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 (1 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 ACKR3 1939/4885MEN1 4243/4885KMT2A 4268/4885

“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.