SCHEMBL5100201

SCHEMBL5100201

OCc1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
IDO1 P14902 6/20 0.45
CYP2A6 P11509 1/20 0.42
AHR P35869 1/20 0.42
NR4A2 P43354 1/20 0.42
FLT3 P36888 1/20 0.42
TDO2 P48775 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NOS1 P29475 1/20 0.40
METAP2 P50579 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RHEB Q15382 3/20 0.39
SIRT1 Q96EB6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7257341 0.85 CYP19A1 (0.45) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL30811732 0.85 AHR (0.42) CYP2A6AHRNR4A2LOXL2HRH4
SCHEMBL9929376 0.85 AHR (0.42) CYP2A6AHRNR4A2LOXL2HRH4
SCHEMBL865591 0.84 CYP19A1 (0.50) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL11161860 0.81 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL19964554 0.81 LOXL2 (0.62) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL31388376 0.81 LOXL2 (0.62) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL16440998 0.81 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL19013520 0.81 CYP19A1 (0.47) CYP19A1IDO1CYP2A6AHRNR4A2
SCHEMBL22529411 0.79 CYP19A1 (0.46) CYP19A1IDO1CYP2A6AHRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171040-A Dihydrofuropyran/pyridoindole derivatives and synthesis method thereof 常州大学 2020-05-19 CN claimed
CN-106928121-B High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound 暨南大学 2020-05-12 CN claimed
US-3996241-A 2-Hydroxymethyl indole compounds and blood sugar lowering compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-07 US claimed
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 CN disclosed
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed
CN-111225915-B Imidazopyridine compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-07 CN disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 EP disclosed
EP-3697785-B1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2022-12-28 EP disclosed
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors Jubilant Epipad LLC (US) 2022-08-30 US disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
US-7459478-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-12-02 US disclosed
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-11-30 US disclosed
US-7101903-B2 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-09-05 US disclosed
CN-1726029-A Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (pai-1) WYETH CORP (US) 2006-01-25 CN disclosed
EP-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis WYETH (US) 2005-05-26 US disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed
US-4053624-A HYPOGLYCEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DT) 1977-10-11 US disclosed
US-3996241-A 2-Hydroxymethyl indole compounds and blood sugar lowering compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-07 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-20050113436-A1 9-(4-Methylbenzyl)-6-[4-(trifluoromethoxy)phenyl]-1,9-dihydropyrano[3,4-b]indole-3,4-dione; treating fibrinolytic disorders, vein thrombosis and coronary heart disease, and pulmonary fibrosis FGB, SERPINE1, MMP1 CYP19A1 1208/4885IDO1 14/4885CYP2A6 1422/4885
US-20060270728-A1 Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F2 CYP19A1 1164/4885IDO1 21/4885CYP2A6 1627/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 CYP19A1 1483/4885IDO1 4166/4885CYP2A6 425/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 CYP19A1 4209/4885IDO1 3508/4885CYP2A6 2016/4885
US-11426412-B2 Imidazo-pyridine compounds as PAD inhibitors PADI4, PADI1, PADI2 CYP19A1 976/4885IDO1 921/4885CYP2A6 719/4885

“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.