SCHEMBL3911841

SCHEMBL3911841

C#CCSc1nc2sc3c(c2c(=O)n1CC=C)CCCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.68
▸ POLB P06746 3/20 0.66
▸ GRK2 P25098 1/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ NPSR1 Q6W5P4 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ TSHR P16473 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.60
▸ PKM P14618 1/20 0.58
▸ KMT2A Q03164 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ BACE1 P56817 1/20 0.56

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
SCHEMBL5804877 0.91 NPSR1 (0.65) TP53POLBGRK2CTDSP1NPSR1
SCHEMBL5805038 0.88 POLB (0.64) POLBGRK2CTDSP1NPSR1ALDH1A1
SCHEMBL1101912 0.84 ALDH1A1 (0.66) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19079782 0.83 TSHR (0.73) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1102247 0.81 POLB (0.66) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3914163 0.80 ALDH1A1 (0.77) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12768243 0.79 POLB (1.00) TP53POLBGRK2CTDSP1NPSR1
SCHEMBL19090687 0.79 TSHR (0.59) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19079821 0.79 TSHR (0.67) POLBNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19079669 0.78 SMN1; SMN2 (0.76) TP53NPSR1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US 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 (3 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM TP53 1772/4885POLB 2525/4885GRK2 337/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 TP53 1999/4885POLB 3249/4885GRK2 329/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B TP53 563/4885POLB 1571/4885GRK2 446/4885

“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.

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