SCHEMBL3088967

SCHEMBL3088967

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)[C@@H](C)C(=O)O)cc3)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.41
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
IDH1 O75874 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3098856 0.84 MEN1 (0.55) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3100168 0.83 NPC1 (0.60) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3091140 0.83 NPC1 (0.56) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3103380 0.83 CSGALNACT1 (0.49) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3095997 0.82 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3082198 0.81 IDH1 (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3084132 0.80 MEN1 (0.51) HRH3KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3091001 0.80 DGAT1 (0.49) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3103401 0.79 CA12 (0.53) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL3094765 0.79 KMT2A (0.56) KMT2AMEN1SMN1; SMN2POLBNPC1

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 HRH3 1885/4885KMT2A 636/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 HRH3 1885/4885KMT2A 636/4885MEN1 4210/4885

“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.