SCHEMBL3986490

SCHEMBL3986490

CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
MAPT P10636 8/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
NPC1 O15118 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
RECQL P46063 1/20 0.63
KDM4E B2RXH2 5/20 0.61
HPGD P15428 1/20 0.53
TSHR P16473 5/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL3986487 1.00 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL8290356 0.84 TSHR (0.73) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL3985017 0.79 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL3985021 0.79 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL3648831 0.79 KDM4E (0.78) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL19197517 0.79 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL3646473 0.78 KDM4E (0.76) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL8288610 0.77 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL19180612 0.77 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1
SCHEMBL17378590 0.77 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1

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 4718/4885MAPT 3062/4885SMN1; SMN2 4741/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885MAPT 2046/4885SMN1; SMN2 4706/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885MAPT 2119/4885SMN1; SMN2 4693/4885

“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.