SCHEMBL4267985

SCHEMBL4267985

COC(=O)C(C)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 4/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SLC2A1 P11166 1/20 0.49
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4267988 1.00 TSHR (0.54) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL11249134 0.88 TSHR (0.51) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL9503429 0.88 TSHR (0.51) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL7381961 0.88 TSHR (0.51) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL7379755 0.87 TSHR (0.54) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL7379752 0.87 TSHR (0.54) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL4418598 0.86 MMP8 (0.50) KDM4ESMN1; SMN2HTTMAPTNPC1
SCHEMBL4417389 0.86 MMP8 (0.50) KDM4ESMN1; SMN2HTTMAPTNPC1
SCHEMBL7384576 0.86 MAPT (0.46) TSHRKDM4ESMN1; SMN2HTTMAPT
SCHEMBL7384571 0.86 MAPT (0.46) TSHRKDM4ESMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US claimed
JP-2001508408-A 2001-06-26 JP claimed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
EP-1730099-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2008-03-12 EP disclosed
CN-1934066-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2007-03-21 CN disclosed
EP-1730099-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005092011-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO disclosed
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US disclosed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US disclosed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-4102671-A HERBICIDES SHELL OIL COMPANY (US) 1978-07-25 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 (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-20080234281-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B TSHR 4737/4885KDM4E 525/4885SMN1; SMN2 1063/4885

“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.