SCHEMBL3336435

SCHEMBL3336435

COC(=O)CCCn1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 2/20 0.70
HPGD P15428 6/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 4/20 0.64
GAA P10253 2/20 0.64
HSD17B10 Q99714 2/20 0.63
MAPK10 P53779 2/20 0.63
MPO P05164 3/20 0.62
XDH P47989 2/20 0.62
MAPT P10636 2/20 0.62
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL27432025 0.84 MPO (0.65) SMN1; SMN2LMNAHPGDCYP1A2CYP3A4
SCHEMBL12713472 0.81 KDM4E (0.70) SMN1; SMN2LMNAHPGDCYP1A2CYP3A4
SCHEMBL12713432 0.80 MPO (0.73) SMN1; SMN2ALDH1A1MPOXDHMAPT
SCHEMBL7648079 0.80 ALDH1A1 (0.74) SMN1; SMN2HPGDALDH1A1GAAMPO
SCHEMBL10288918 0.80 MPO (0.68) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6293995 0.79 ALDH1A1 (0.68) SMN1; SMN2HPGDALDH1A1GAAMPO
SCHEMBL10288919 0.79 MPO (0.67) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL10289176 0.78 MPO (0.65) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2731546 0.77 MPO (1.00) ALDH1A1MPOXDH
SCHEMBL10289185 0.77 MPO (1.00) SMN1; SMN2ALDH1A1MPOXDH

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-20100144714-A1 DERIVATIVES OF IMIDAZO PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2010-06-10 US disclosed
EP-2129675-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2009-12-09 EP disclosed
WO-2008090286-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2008-07-31 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 (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-20100144714-A1 DERIVATIVES OF IMIDAZO PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG CNR1, CNR2, TBXA2R SMN1; SMN2 4012/4885LMNA 3153/4885HPGD 1087/4885

“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.