SCHEMBL8779356

SCHEMBL8779356

CC(C)Sc1nnc(N)s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.56
ALDH1A1 P00352 5/20 0.52
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.42
PTGS1 P23219 1/20 0.40

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
SCHEMBL16187284 0.83 NPC1 (0.50) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8482946 0.78 GAA (0.48) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16187285 0.76 NPC1 (0.46) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8475777 0.75 ALDH1A1 (0.50) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12411205 0.74 PTGS1 (0.45) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL750885 0.73
SCHEMBL27793183 0.73 SMN1; SMN2 (0.49) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8480842 0.73 ATM (0.44) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9217562 0.73 SMN1; SMN2 (0.49) FBP1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23137180 0.73 NPC1 (0.43) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP claimed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP claimed
US-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-07 US disclosed
EP-3892622-B1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RES INST CHEMICAL TECH (KR) 2024-07-24 EP disclosed
CN-113166159-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-24 CN disclosed
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
EP-3892622-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
CN-113166159-A Compound with PDE9A inhibitory activity and pharmaceutical use thereof 韩国化学研究院 2021-07-23 CN disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
US-5087284-A 5-substituted thiadiazole ureas and their use as herbicides RHONE-POULENC, INC. (US) 1992-02-11 US disclosed
US-4599424-A PRE-AND POSTEMERGENCE RHONE-POULENC, INC. (US) 1986-07-08 US disclosed
US-4182712-A 5-Substituted thiadiazole ureas MOBIL OIL CORPORATION (US) 1980-01-08 US disclosed
US-4175081-A PLANT GROWTH REGULATORS, HERBICIDES MOBIL OIL CORPORATION (US) 1979-11-20 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 (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-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A FBP1 3078/4885ALDH1A1 517/4885HPGD 966/4885
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A FBP1 3078/4885ALDH1A1 517/4885HPGD 966/4885

“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.