SCHEMBL2994079

SCHEMBL2994079

O=C(O)Cc1ccc(I)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.61
GABRD O14764 2/20 0.61
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRE P78334 2/20 0.61
GABRA6 Q16445 2/20 0.61
GABRG1 Q8N1C3 2/20 0.61
GABRG3 Q99928 2/20 0.61
GABRQ Q9UN88 2/20 0.61
P4HTM Q9NXG6 2/20 0.61
NAPRT Q6XQN6 1/20 0.48
CA2 P00918 2/20 0.47
CAMK2A Q9UQM7 1/20 0.47

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
SCHEMBL30452680 1.00 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31716303 0.82 P4HTM (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20037765 0.82 CA2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20037783 0.81 P4HTM (0.64) P4HTMCA2LMNAFFAR1
SCHEMBL31715984 0.78 RAB9A (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3008213 0.78 RAB9A (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12844891 0.78 HDAC4 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20037801 0.78 SMN1; SMN2 (0.52) GABRA1GABRA2GABRB2P4HTMLMNA
SCHEMBL5740064 0.78 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14671128 0.77 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed
EP-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
CN-111484479-A Nitrogen heterocyclic compound, pharmaceutical composition containing nitrogen heterocyclic compound, preparation method and application of nitrogen heterocyclic compound 四川科伦博泰生物医药股份有限公司 2020-08-04 CN 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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 (4 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 GABRP 4074/4885GABRD 4267/4885GABRA1 4307/4885
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors MBOAT4, GIPR, ACAT1 GABRP 1336/4885GABRD 890/4885GABRA1 1541/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R GABRP 541/4885GABRD 1082/4885GABRA1 363/4885
US-10308667-B2 Oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, MOGAT2, ACAT1 GABRP 1393/4885GABRD 840/4885GABRA1 1429/4885

“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.