SCHEMBL3040587

SCHEMBL3040587

O=[N+]([O-])c1ccc(O)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.63
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP11B1 P15538 2/20 0.61
CYP11B2 P19099 2/20 0.61
MAOB P27338 2/20 0.57
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
PPIA P62937 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3017594 0.88 MEN1 (0.65) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL371728 0.86 MEN1 (0.70) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL31418722 0.86 MEN1 (0.70) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL9386456 0.85 CYP19A1 (0.59) CYP19A1MEN1MAPTKMT2ACYP11B1
Bicarbonate SCHEMBL5503301 0.84 CYP19A1 (0.65) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL3298587 0.84 MEN1 (0.63) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL14008900 0.83 CYP19A1 (0.62) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL1647948 0.83 CYP19A1 (0.64) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL544956 0.82 MEN1 (0.61) CYP19A1MEN1MAPTKMT2ACYP11B1
SCHEMBL944185 0.82 MEN1 (0.61) CYP19A1MEN1MAPTKMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof LIBRA THERAPEUTICS, INC. (US) 2024-09-24 US disclosed
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
WO-2008118935-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-E]INDOL-8-ONES NEUROGEN CORPORATION (US) 2008-10-02 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-12098145-B2 Oxazole TRPML1 agonists and uses thereof TRPM7, TRPM2, TRPM5 CYP19A1 3407/4885MEN1 1354/4885MAPT 2331/4885
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF TRPM7, TRPM2, TRPM5 CYP19A1 3978/4885MEN1 1222/4885MAPT 2091/4885
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES MTNR1A, HTR3C, MTNR1B CYP19A1 113/4885MEN1 3210/4885MAPT 3390/4885

“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.