SCHEMBL671879

SCHEMBL671879

COc1ccc(CSCCNCCC(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 1/20 0.52
GAA P10253 1/20 0.47
IDO1 P14902 2/20 0.47
MAPT P10636 3/20 0.46
F2RL1 P55085 1/20 0.43
EPHX1 P07099 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL10039350 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMGAAMAPT
SCHEMBL6277688 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2PKMGAAIDO1
Hydrochloric Acid SCHEMBL8841049 0.84 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL4813897 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PKMGAAMAPT
SCHEMBL11197684 0.78 MEN1 (0.61) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL675219 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL670769 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2PKMGAAMAPT
SCHEMBL26676923 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL8003157 0.75 CYP2C19 (0.64) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL7355822 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PKMGAAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250319213-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX ADVANCED BIOCHEMICAL COMPOUNDS – BIOMEDIZINISCHE FORSCHUNGSREAGENZIEN GMBH (DE) 2025-10-16 US disclosed
EP-4529473-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX Advanced Biochemical Compounds - Biomedizinische Forschungsreagenzien GmbH (DE) 2025-04-02 EP disclosed
WO-2023227535-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2023-11-30 WO disclosed
EP-4282438-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX Advanced Biochemical Compounds GmbH (DE) 2023-11-29 EP disclosed
EP-2605801-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE Healthcare UK Limited (GB) 2013-06-26 EP disclosed
US-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE HEALTHCARE LIMITED (GB) 2013-06-13 US disclosed
US-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE HEALTHCARE LIMITED (GB) 2013-06-13 US disclosed
CN-103096936-A Imaging tuberculosis with pyrazinamide contrast agents GE HEALTHCARE LTD 2013-05-08 CN disclosed
WO-2012022812-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE HEALTHCARE LIMITED (GB) 2012-02-23 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 (2 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-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS CTPS1, CTPS2, MPI ALDH1A1 1652/4885SMN1; SMN2 4820/4885PKM 1093/4885
US-20250319213-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS MARS1, MARS2, BCAT1 ALDH1A1 3187/4885SMN1; SMN2 3434/4885PKM 926/4885

“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.