SCHEMBL3334035

SCHEMBL3334035

COC(=O)c1ccccc1-n1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PDE7A Q13946 2/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.55
ALOX12 P18054 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 1/20 0.55
PDE7B Q9NP56 1/20 0.53
MYC P01106 1/20 0.51
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6282188 0.77 PDE7A (0.63) ALDH1A1KMT2APDE7AMEN1ALOX12
SCHEMBL1708270 0.77 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL2313957 0.76 MYC (0.56) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6284203 0.76 PDE7A (0.61) ALDH1A1KMT2APDE7AMEN1ALOX12
SCHEMBL6280728 0.74 PDE7A (0.63) ALDH1A1KMT2ASMN1; SMN2KDM4EPDE7A
SCHEMBL18239972 0.74 HTT (0.67) ALDH1A1KMT2ASMN1; SMN2KDM4EPDE7A
SCHEMBL7652250 0.74 SMN1; SMN2 (0.67) ALDH1A1KMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL11926706 0.72 MYC (0.66) ALDH1A1KMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL6286214 0.71 PDE7A (0.62) ALDH1A1KMT2AKDM4EPDE7AMEN1
SCHEMBL6278489 0.71 KMT2A (0.75) ALDH1A1KMT2ASMN1; SMN2KDM4EPDE7A

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 ALDH1A1 1911/4885KMT2A 2230/4885SMN1; SMN2 4012/4885

“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.