SCHEMBL8056975

SCHEMBL8056975

CCC1(O)C(=O)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
IDO1 P14902 1/20 0.59
TDO2 P48775 1/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL31453077 0.85 GAA (0.61) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL15229055 0.85 GAA (0.61) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL31453076 0.85 GAA (0.61) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL15229056 0.85 GAA (0.61) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL4067986 0.83 GAA (0.59) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL10369216 0.82 GAA (0.55) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL250063 0.81 GAA (0.54) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL25435983 0.80 IDO1 (0.77) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL1460831 0.80 SMN1; SMN2 (0.70) GAAIDO1TDO2ATMSMN1; SMN2
SCHEMBL27664771 0.80 GAA (0.56) GAAIDO1TDO2ATMSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2024-01-18 US disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 CN disclosed
CN-108409630-A preparation method of 3-hydroxy-2-indolone derivative in aqueous phase 宁波大学 2018-08-17 CN disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP 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-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH GAA 3932/4885IDO1 576/4885TDO2 617/4885
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 GAA 853/4885IDO1 2622/4885TDO2 4412/4885

“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.