SCHEMBL4188600

SCHEMBL4188600

O=C1c2ccc(C(F)(F)F)cc2[C@H](O)N1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL4188597 1.00 LMNA (0.35) LMNAHPGDALOX15TSHRHTT
SCHEMBL4188596 1.00 LMNA (0.35) LMNAHPGDALOX15TSHRHTT
SCHEMBL5693013 0.89 ALOX15 (0.42) LMNAHPGDALOX15TSHRHTT
SCHEMBL4465394 0.82 CACNA1B (0.40) LMNAHPGDALOX15KDM4EPOLB
SCHEMBL4179224 0.80 CTDSP1 (0.41)
SCHEMBL4179228 0.80 CTDSP1 (0.41)
SCHEMBL22939419 0.79 HPGD (0.55) LMNAHPGDTSHRALDH1A1PKM
SCHEMBL4472485 0.79 PTGS2 (0.36) LMNAHPGDALOX15ALDH1A1PKM
SCHEMBL13079029 0.76 BACE1 (0.34) LMNAALOX15TSHRHTTNPSR1
SCHEMBL6275044 0.76 BACE1 (0.34) LMNAALOX15TSHRHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
EP-1692105-B1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-14 EP disclosed
EP-1692105-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2006-08-23 EP disclosed
WO-2005054195-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-06-16 WO disclosed
US-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-09 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 (2 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-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives OGG1, HBG2, OGDH LMNA 3218/4885HPGD 32/4885ALOX15 3542/4885
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES OGT, B3GNT2, UGT1A9 LMNA 3471/4885HPGD 5/4885ALOX15 753/4885

“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.