Sugi Predict

Sugi Predict / Compounds / SCHEMBL5730708

SCHEMBL5730708

SCHEMBL5730708

CCC(NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ PADI1 Q9ULC6 1/20 0.43
▸ PADI4 Q9UM07 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PSMB5 P28074 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
SCHEMBL6502285 0.98 PADI1 (0.45) LMNATDP1PADI1PADI4RECQL
SCHEMBL1953631 0.92 LMNA (0.50) LMNATDP1RECQLPOLBGAA
SCHEMBL1953634 0.92 LMNA (0.50) LMNATDP1RECQLPOLBGAA
SCHEMBL10669991 0.86 LMNA (0.43) LMNATDP1PADI1PADI4RECQL
SCHEMBL10669986 0.86 LMNA (0.43) LMNATDP1PADI1PADI4RECQL
SCHEMBL9829322 0.84 NAAA (0.45) LMNATDP1PADI1PADI4SMN1; SMN2
SCHEMBL9829324 0.84 NAAA (0.45) LMNATDP1PADI1PADI4SMN1; SMN2
SCHEMBL31445677 0.84 SMN1; SMN2 (0.45) LMNATDP1SMN1; SMN2GAA
SCHEMBL31447108 0.83 LMNA (0.41) LMNATDP1SMN1; SMN2GAA
SCHEMBL31444964 0.83 LMNA (0.41) LMNATDP1PADI1PADI4SMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases BAYER HEALTHCARE AG (DE) 2006-12-28 — — US disclosed
US-7098207-B2 Imidazotriazinones and the use thereof BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-29 — — US disclosed
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 — — US disclosed
US-7074790-B2 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-07-11 — — US disclosed
EP-1399439-B1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2006-06-14 — — EP disclosed
US-20060040942-A1 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-02-23 — — US disclosed
US-20050267112-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (US) 2005-12-01 — — US disclosed
US-6943163-B2 7-Alkyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 — — US disclosed
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 — — US disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 — — EP disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 — — US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 — — US disclosed
EP-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 — — EP disclosed
EP-1399439-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES Bayer HealthCare AG (DE) 2004-03-24 — — EP disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 — — EP disclosed
WO-2003097645-A1 5-ETHYLIMIDAROTRIAZONES BAYER HEALTHCARE AG (DE) 2003-11-27 — — WO disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 — — WO disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 — — WO disclosed
WO-2002098873-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2002-12-12 — — WO disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 — — 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 (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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 LMNA 4204/4885TDP1 3884/4885PADI1 2595/4885
US-20060040942-A1 5-ethylimidarotriazones IL5, EPX, NFATC1 LMNA 1669/4885TDP1 1415/4885PADI1 1194/4885
US-20050267112-A1 Novel imidazotriazinones and the use thereof CYP3A7, CYP4F2, CYP4F3 LMNA 3991/4885TDP1 3840/4885PADI1 3334/4885
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases REL, AHR, SULT2A1 LMNA 1720/4885TDP1 3583/4885PADI1 2655/4885
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A LMNA 2027/4885TDP1 37/4885PADI1 582/4885

“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.