SCHEMBL3060301

SCHEMBL3060301

COc1c(C(=O)Cl)csc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
FFAR2 O15552 1/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.33
TPMT P51580 1/20 0.33
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NQO2 P16083 1/20 0.30
HPGD P15428 1/20 0.30
ABCB11 O95342 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL4004768 0.85 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1328328 0.85 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7963283 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7963288 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11460981 0.80 LMNA (0.36) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2745248 0.79 NPC1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6361656 0.74 KMT2A (0.50) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL29997568 0.70 TDP1 (0.44) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL2202238 0.70 TDP1 (0.44) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL4311603 0.69 TPMT (0.39) POLBALDH1A1KDM4EHSD17B10GAA

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
EP-4081299-B1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2024-09-25 EP disclosed
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1603926-A1 PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1) PFIZER INC. (US) 2005-12-14 EP disclosed
US-20050250742-A1 Phosphate/sulfate ester compounds and pharmaceutical composition for inhibiting protein interacting NIMA (PIN1) PFIZER INC. 2005-11-10 US disclosed
WO-2004087720-A1 PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1) PFIZER INC. (US) 2004-10-14 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 (5 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-20050250742-A1 Phosphate/sulfate ester compounds and pharmaceutical composition for inhibiting protein interacting NIMA (PIN1) PIN1, PSTPIP2, NIM1K MEN1 2605/4885KMT2A 3783/4885NPC1 433/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885NPC1 77/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885NPC1 77/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885NPC1 77/4885
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES FCER2, FCGR2A, FCGR1A MEN1 4763/4885KMT2A 3223/4885NPC1 1018/4885

“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.