SCHEMBL17281502

SCHEMBL17281502

NC(=S)Nc1cccc2c(NC(N)=S)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 4/20 0.63
GAA P10253 4/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
GLA P06280 1/20 0.49
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
TAS2R38 P59533 1/20 0.48

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
SCHEMBL11362026 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL29522175 0.87 KDM4E (0.71) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL260429 0.87 KDM4E (0.71) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
Hydrogen Sulfide SCHEMBL27456819 0.86 KDM4E (0.69) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL27567335 0.86 KDM4E (0.69) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
Hydrazine SCHEMBL28848708 0.86 KDM4E (0.69) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL19987853 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL7593748 0.82 L3MBTL1 (0.71) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
Trimethylammonium SCHEMBL27986322 0.81 KDM4E (0.63) ALDH1A1KDM4EGAAKMT2ASMN1; SMN2
SCHEMBL29653970 0.80 MEN1 (0.62) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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-9711733-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2017-07-18 US disclosed
US-9711733-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2017-07-18 US disclosed
US-20150340624-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-11-26 US disclosed
US-20150340624-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-11-26 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-20150340624-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL SLCO2A1, SLCO1A2, OR10J3 ALDH1A1 2990/4885KDM4E 1223/4885GAA 4356/4885

“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.