SCHEMBL3913445

SCHEMBL3913445

CCOC(=O)c1c(NC(=O)NCC2CCN(C(=O)Nc3ccccc3C)CC2)sc2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TLR2 O60603 14/20 0.57
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TLR1 Q15399 1/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4D Q08499 1/20 0.52
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL3911867 0.92 TLR2 (0.54) ALDH1A1SMN1; SMN2TLR2TP53MAPT
SCHEMBL3914457 0.92 TLR2 (0.53) ALDH1A1SMN1; SMN2TLR2TP53MAPT
SCHEMBL3914193 0.91 TLR2 (0.67) ALDH1A1SMN1; SMN2TLR2TP53MAPT
SCHEMBL6435397 0.90 KMT2A (0.53) ALDH1A1SMN1; SMN2TP53MAPTLMNA
SCHEMBL3913979 0.88 TLR2 (0.58) ALDH1A1SMN1; SMN2TLR2TP53MAPT
SCHEMBL3924395 0.88 MAPT (0.54) ALDH1A1TLR2TP53MAPTTLR1
SCHEMBL3915424 0.87 TLR2 (0.61) ALDH1A1SMN1; SMN2TLR2MAPTTLR1
SCHEMBL3923711 0.87 TLR2 (0.60) ALDH1A1SMN1; SMN2TLR2MAPTTLR1
SCHEMBL3923638 0.87 TLR2 (0.62) ALDH1A1TLR2MAPTTLR1LMNA
SCHEMBL3918068 0.87 TLR2 (0.61) ALDH1A1SMN1; SMN2TLR2TP53MAPT

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 ALDH1A1 4718/4885SMN1; SMN2 4741/4885TLR2 1501/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885SMN1; SMN2 4706/4885TLR2 1342/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885SMN1; SMN2 4693/4885TLR2 698/4885

“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.