SCHEMBL3930249

SCHEMBL3930249

COC(=O)c1cc2[nH]c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3)c(-c3ccccc3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
PLA2G2A P14555 2/20 0.36
COMT P21964 2/20 0.34
MDM2 Q00987 2/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL4877033 0.85 KCNH2 (0.35) KCNH2HRH3
SCHEMBL3935580 0.85 BDKRB1 (0.36) SMN1; SMN2PLA2G2ANPSR1ALDH1A1HPGD
SCHEMBL3930247 0.83 KCNH2 (0.38) KCNH2HRH3CYP2C9ALDH1A1
SCHEMBL3931430 0.80 KDM4E (0.35) SMN1; SMN2PLA2G2ACOMTKCNH2HRH3
SCHEMBL4877321 0.79 KCNH2 (0.35) KCNH2HRH3CYP1A2ALDH1A1HPGD
SCHEMBL2987902 0.78 LMNA (0.45) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL3942443 0.77 ALDH1A1 (0.34) SMN1; SMN2PLA2G2ACOMTKCNH2HRH3
SCHEMBL2986582 0.75 PTGS2 (0.42) PLA2G2AMDM2LMNACYP1A2CYP2C19
SCHEMBL4877262 0.73 MAPK1 (0.33) ALDH1A1HPGDKDM4EMAPT
SCHEMBL4876042 0.72 KDM4E (0.36) COMTKCNH2HRH3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 1929/4885PLA2G2A 3058/4885COMT 3285/4885

“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.