SCHEMBL14982888

SCHEMBL14982888

COc1ncccc1CNC(=S)SCCC#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ KDM1A O60341 5/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PKM P14618 2/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC13A5 Q86YT5 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL14724326 0.74 HTT (0.60) PKMHTTSMN1; SMN2
SCHEMBL14982897 0.73 CA9 (0.42) PKMHTTSMN1; SMN2LMNA
SCHEMBL14985744 0.73 MLLT1 (0.41) KDM1AMAOAMAOBPKMHTT
SCHEMBL18599187 0.72 SLC13A5 (0.47) HTR2AHTR2CKDM1AMAOAMAOB
SCHEMBL14982890 0.71 SMN1; SMN2 (0.40) PKMHTTSMN1; SMN2
SCHEMBL6047280 0.70 KDM1A (0.54) HTR2AHTR2CKDM1AMAOAMAOB
SCHEMBL30420959 0.70 KDM1A (0.48) HTR2AHTR2CKDM1AMAOAMAOB
SCHEMBL3414085 0.70 KDM1A (0.51) HTR2AHTR2CKDM1AMAOAMAOB
SCHEMBL14714945 0.70 TSHR (0.43) SMN1; SMN2SLC13A5APLNRLMNA
SCHEMBL14724272 0.70 SLC6A4 (0.32) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — US disclosed
US-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2013-05-30 — — 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-20130136794-A1 HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF LTK, ERBB2, ABL1 HTR2A 4138/4885HTR2C 2962/4885KDM1A 2760/4885

“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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