SCHEMBL3096847

SCHEMBL3096847

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)[C@@H](C)C(=O)O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
ATM Q13315 2/20 0.49
RAB9A P51151 8/20 0.47
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40
MCHR1 Q99705 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
SCHEMBL3083935 0.92 NR1H4 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3100469 0.89 GAA (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3097134 0.88 KMT2A (0.47) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL3091001 0.85 DGAT1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3084132 0.85 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3099926 0.85 MAPT (0.52) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3095997 0.82 ALDH1A1 (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3088530 0.82 MEN1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3099424 0.81 EPHX1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3089070 0.81 TRPV1 (0.59) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-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
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO 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

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 KMT2A 636/4885MEN1 4210/4885ATM 3093/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 KMT2A 636/4885MEN1 4210/4885ATM 3093/4885

“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.