SCHEMBL1104524

SCHEMBL1104524

Cc1cccc2c1Nc1c(-c3ccccc3-c3cccc(C(=O)O)c3)nc3cccc-2n13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
PTGER1 P34995 1/20 0.36
KMO O15229 1/20 0.36
IKBKB O14920 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1103918 0.91 BAZ2B (0.38) NR1H4NPC1RAB9AMAPK1MAP2K4
SCHEMBL1086917 0.70 GAA (0.55) NR1H4SMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL2995452 0.69 NR1H4 (0.74) NR1H4NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL30259065 0.68 KMO (0.73) NR1H4TSHRPTGER1KMOPDK2
SCHEMBL2213546 0.68 KMO (0.73) NR1H4TSHRPTGER1KMOPDK2
SCHEMBL382724 0.66 KMO (0.70) NR1H4TSHRPTGER1KMO
SCHEMBL1707626 0.66 KMO (0.70) NR1H4TSHRPTGER1KMO
SCHEMBL3201162 0.66 NR1H4 (0.59) NR1H4AKR1C3AKR1C2PTGER1KMO
Methane SCHEMBL29109682 0.65 KMO (0.68) NR1H4TSHRPTGER1KMOPDK2
SCHEMBL11498188 0.65 KMO (0.68) NR1H4TSHRPTGER1KMOPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153649-B2 3-aminoimidazo 1,2-A pyridine derivatives having an SGLT1- and SGLT2-inhibiting action for the treatment of type 1 and type 2 diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-10 US disclosed
US-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-12-02 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-20100305142-A1 3-AMINOIMIDAZO 1,2-A PYRIDINE DERIVATIVES HAVING AN SGLT1- AND SGLT2-INHIBITING ACTION FOR THE TREATMENT OF TYPE 1 AND TYPE 2 DIABETES SLC5A1, SLC5A2, GLP1R NR1H4 1794/4885FABP3 747/4885FABP4 372/4885

“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.