SCHEMBL3095885

SCHEMBL3095885

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)NC(C)(C)C(=O)O)cc3)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 5/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 4/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.44
IDH1 O75874 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
FLT3 P36888 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL3084085 0.87 KMT2A (0.48) KMT2APOLBRAB9AIDH1ALDH1A1
SCHEMBL3094799 0.84 PTPN1 (0.58) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL3099662 0.83 MEN1 (0.57) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL3097312 0.83 RAB9A (0.53) KMT2ASMN1; SMN2POLBRAB9AMAPT
SCHEMBL3094536 0.83 NPC1 (0.55) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL3092811 0.82 MAPT (0.51) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL3100283 0.81 RAB9A (0.56) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL13181021 0.80 MAPT (0.45) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL3092820 0.80 IDH1 (0.50) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL3096264 0.79 NPC1 (0.54) MEN1KMT2ASMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US claimed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US claimed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 MEN1 4210/4885KMT2A 636/4885HRH3 1885/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MEN1 4210/4885KMT2A 636/4885HRH3 1885/4885

“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.