SCHEMBL3103296

SCHEMBL3103296

Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)OC(=O)[C@H]4CCCN4)cc3)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDR P35968 1/20 0.39
▸ SCN4A P35499 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC3 O15379 1/20 0.37

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
SCHEMBL3094868 0.89 ALDH1A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3096299 0.85 RAB9A (0.52) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3103168 0.85 MEN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3100594 0.85 MEN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3094855 0.85 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3094429 0.85 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3103404 0.84 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3105688 0.82 DGAT1 (0.40) MAPTNPC1HRH3SMN1; SMN2ALDH1A1
SCHEMBL3092727 0.79 HTR2C (0.46) MAPTRAB9AHRH3MEN1KMT2A
SCHEMBL3100729 0.79 MAPT (0.46) MAPTNPC1RAB9AFLT3SMN1; 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 3 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

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 MAPT 3315/4885NPC1 2959/4885RAB9A 1741/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MAPT 3315/4885NPC1 2959/4885RAB9A 1741/4885

“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.

Send feedback