SCHEMBL19837372

SCHEMBL19837372

CN(C)C=Nc1nc(I)ncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MAPT P10636 5/20 0.46
MBOAT4 Q96T53 1/20 0.45
ALDH1A1 P00352 11/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 9/20 0.39
LMNA P02545 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALOX15 P16050 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL19837371 1.00 GAA (0.50) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL19851186 0.83 MBOAT4 (0.48) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL19844894 0.82 GAA (0.47) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810568 0.79 GAA (0.44) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810569 0.79 GAA (0.44) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL19837318 0.78 GAA (0.43) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811552 0.76 MBOAT4 (0.44) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL811553 0.76 MBOAT4 (0.44) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL810299 0.75 GAA (0.49) GAAMAPTMBOAT4ALDH1A1SMN1; SMN2
SCHEMBL19851206 0.75 GAA (0.49) GAAMAPTMBOAT4ALDH1A1SMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49446-E1 Oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-03-07 US disclosed
EP-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
EP-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
EP-3494120-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS Boehringer Ingelheim International GmbH (DE) 2019-06-12 EP disclosed
US-10308667-B2 Oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-04 US disclosed
US-10308667-B2 Oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-04 US disclosed
US-20180251476-A1 Oxadiazolopyridine Derivatives for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-09-06 US disclosed
US-9994591-B2 Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-12 US disclosed
US-9994591-B2 Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-12 US disclosed
US-9994591-B2 Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-12 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO 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 (3 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-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors MBOAT4, GIPR, ACAT1 GAA 295/4885MAPT 3453/4885MBOAT4 1/4885
US-20180251476-A1 Oxadiazolopyridine Derivatives for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors MBOAT4, MOGAT2, ACAT1 GAA 349/4885MAPT 3188/4885MBOAT4 1/4885
US-10308667-B2 Oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, MOGAT2, ACAT1 GAA 349/4885MAPT 3188/4885MBOAT4 1/4885

“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.