SCHEMBL3916264

SCHEMBL3916264

CCOc1c(N)sc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.53
▸ ALDH1A1 P00352 10/20 0.53
▸ HSD17B10 Q99714 8/20 0.53
▸ ALOX15 P16050 7/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ HPGD P15428 7/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ TSHR P16473 2/20 0.44
▸ BPTF Q12830 2/20 0.43
▸ USP2 O75604 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ ADRA2A P08913 1/20 0.37

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
SCHEMBL3916259 0.76 MAPT (0.47) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL1143872 0.72 ALDH1A1 (0.49) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL3914678 0.70 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL5252916 0.70 ALDH1A1 (0.57) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL3911289 0.69 FLT3 (0.61) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL133642 0.69 MAPT (1.00) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL14163402 0.69 BPTF (0.57) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL4090734 0.68 ALDH1A1 (0.97) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL1887318 0.68 ALDH1A1 (0.97) MAPTALDH1A1HSD17B10ALOX15KDM4E
SCHEMBL2040212 0.68 ELANE (0.34) ELANE

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 MAPT 3062/4885ALDH1A1 4718/4885HSD17B10 4508/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885ALDH1A1 4655/4885HSD17B10 4186/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885ALDH1A1 4146/4885HSD17B10 2635/4885

“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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