Sugi Predict

Sugi Predict / Compounds / SCHEMBL970397

SCHEMBL970397

SCHEMBL970397

[c]1cc(OCc2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAOB P27338 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ GSTP1 P09211 1/20 0.45
▸ BCHE P06276 1/20 0.44

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
SCHEMBL9481706 0.82 MAOB (0.50) MAOBMAOASMN1; SMN2NR4A2APP
SCHEMBL9480278 0.81 APP (0.53) MAOBMAPTRAB9ASMN1; SMN2APP
SCHEMBL953509 0.76 F2 (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2166788 0.75 LTA4H (0.50) MAOBMAPTMAOARAB9AGSTP1
SCHEMBL662605 0.73 LMNA (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6771203 0.73 LMNA (0.43) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.73 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.73 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.73 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3065928 0.72 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132738-A1 Piperazinedione compounds ANGIORX CORPORATION (TW) 2004-07-08 — — US claimed
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 — — CN disclosed
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 — — CN disclosed
CN-112174935-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-06 — — CN disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 — — US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 — — EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 — — US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 — — EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 — — US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 — — EP disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 — — EP disclosed
US-4707478-A ANTIPROTOZOA AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-11-17 — — US disclosed
EP-0116628-A4 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INTERNAT OVERSEAS INC (US) 1985-02-18 — — EP disclosed
US-4496573-A 1-Pyridylmethyl-3-acyl guanidines WILLIAM H. RORER, INC. (US) 1985-01-29 — — US disclosed
EP-0086775-A4 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1984-09-05 — — EP disclosed
EP-0116628-A1 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS. RORER INT OVERSEAS (US) 1984-08-29 — — EP disclosed
WO-1984000963-A1 1-ACYL-3-PYRIDYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS RORER INT OVERSEAS (US) 1984-03-15 — — WO disclosed
EP-0086775-A1 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-31 — — EP disclosed
WO-1983000627-A1 HETEROCYCLIC AMIDINO SUBSTITUTED UREAS AND THEIR PHARMACEUTICAL USES STUDT, WILLIAM, LYON 1983-03-03 — — 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 (3 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD LMNA 3678/4885CYP1A2 630/4885PTGS1 1120/4885
US-20040132738-A1 Piperazinedione compounds CBR1, KDR, FLT1 LMNA 3384/4885CYP1A2 531/4885PTGS1 539/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 LMNA 2712/4885CYP1A2 70/4885PTGS1 750/4885

“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.