SCHEMBL6032044

SCHEMBL6032044

S=C(S)Nc1ccccc1NC(=S)S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS2R38 P59533 3/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
TYR P14679 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
SCHEMBL11500810 0.85 NPC1 (0.48) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL11310301 0.84 NPC1 (0.57) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL11436972 0.84 ALDH1A1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL8468623 0.84 HDAC3 (0.50) ALDH1A1HSD17B10LMNAHPGDALOX15
Ammonia Solution, Strong SCHEMBL11800520 0.82 HDAC3 (0.48) ALDH1A1HSD17B10LMNAHPGDALOX15
SCHEMBL1080942 0.79 MAPT (0.64) ALDH1A1LMNAL3MBTL1MAPTMEN1
SCHEMBL9705658 0.79 L3MBTL1 (0.32) ALDH1A1HSD17B10LMNAHPGDALOX15
SCHEMBL27609154 0.79 SMN1; SMN2 (0.56) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL10969521 0.77 TTR (0.41) ALDH1A1L3MBTL1RECQLSMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL11521444 0.77 MAPT (0.62) ALDH1A1LMNAL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104093701-B Separation method 旭化成株式会社 2017-05-03 CN disclosed
US-20060208252-A1 Molecular rectifiers SONY DEUTSCHLAND GMBH (DE) 2006-09-21 US disclosed
EP-1703572-A1 Molecular rectifiers SONY DEUTSCHLAND GmbH (DE) 2006-09-20 EP disclosed
US-4079146-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-03-14 US disclosed
US-4026878-A CYCLIC BIS(DITHIOCARBAMIC ACID) METAL SALTS OR DITHIOCARBAMIC-XANTHOGENIC ACID METAL SALTS THE YOKOHAMA RUBBER CO. LTD. (JA) 1977-05-31 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 (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-20060208252-A1 Molecular rectifiers KCNJ2, KCNJ11, KCNMA1 ALDH1A1 1474/4885HSD17B10 3427/4885LMNA 3040/4885

“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.