SCHEMBL6418397

SCHEMBL6418397

CCCCCCc1cc(-c2cccs2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
HCAR3 P49019 3/20 0.45
GPR84 Q9NQS5 1/20 0.40
TLR8 Q9NR97 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
COMT P21964 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAPDH P04406 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL6412673 0.99 SMN1; SMN2 (0.48) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL6412460 0.94 HCAR2 (0.50) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL14400727 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1GAASMN1; SMN2DRD2
SCHEMBL18010760 0.80 HCAR2 (0.60) HCAR2HCAR3GPR84COMTSPHK1
SCHEMBL5904032 0.77 COMT (0.54) KDM4EALDH1A1GAASMN1; SMN2DRD2
SCHEMBL624712 0.76 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL18106980 0.75 L3MBTL1 (0.54) HCAR2HCAR3COMTPOLBL3MBTL1
SCHEMBL6414035 0.74 SMN1; SMN2 (0.58) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL27540721 0.74 HCAR2 (0.49) HCAR2HCAR3LMNASPHK1MAPT
Heptane SCHEMBL8571539 0.73 KDM4E (0.50) KDM4EALDH1A1GAATLR8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 US disclosed
US-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 US disclosed
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO 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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 KDM4E 1709/4885ALDH1A1 534/4885GAA 4475/4885

“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.