SCHEMBL1646385

SCHEMBL1646385

O=Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.61
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
AR P10275 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL31053128 1.00 BACE1 (0.61) BACE1MAOBMAOATLR4TLR2
SCHEMBL4883605 0.89 BACE1 (0.53) BACE1MAOBMAOATLR4TLR2
SCHEMBL6372335 0.88 BACE1 (0.60) BACE1MAOBMAOATLR4TLR2
SCHEMBL1646241 0.86 NPC1 (0.58) BACE1TLR4TLR2NPC1RAB9A
SCHEMBL6927262 0.86 MAOB (0.56) BACE1MAOBMAOATLR4TLR2
SCHEMBL8943775 0.86 MAOB (0.56) BACE1MAOBMAOATLR4TLR2
SCHEMBL10909080 0.85 MAOA (0.67) BACE1MAOBMAOATLR4TLR2
SCHEMBL10909084 0.85 MAOA (0.67) BACE1MAOBMAOATLR4TLR2
SCHEMBL1645464 0.85 RAB9A (0.49) BACE1TLR4TLR2NPC1RAB9A
SCHEMBL30832846 0.84 MEN1 (0.57) BACE1MAOBMAOATLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497386-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2025-12-16 US disclosed
US-20250340542-A1 THYROID HORMONE RECEPTOR AGONISTS INVENTISBIO CO LTD (CN) 2025-11-06 US disclosed
EP-4635565-A1 PRENYLATED TETRAHYDROQUINOLINES AND QUINOLINES WITH PPAR AGONIST ACTIVITY Fundación para la Investigación del Hospital Clínico de la Comunidad Valenciana (INCLIVA) (ES) 2025-10-22 EP disclosed
US-12391677-B2 Thyroid hormone receptor agonists InventisBio Co., Ltd. (CN) 2025-08-19 US disclosed
US-20240308986-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. 2024-09-19 US disclosed
US-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
EP-3911660-B1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LTD (IN) 2023-05-10 EP disclosed
US-20220332704-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. 2022-10-20 US disclosed
US-11434196-B2 Process for preparation of 2-Amino-5-hydroxy propiophenone LAURUS LABS LIMITED (IN) 2022-09-06 US disclosed
US-11384068-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-6608049-B2 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
EP-1324987-A1 INDAZOLES WITH THYROID HORMON LIKE ACTIVITY, A PROCESS FOR ITS PREPARATION AND ITS USE IN PHARMACEUTICAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2003-07-09 EP disclosed
US-20020193610-A1 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-12-19 US disclosed
US-20020173531-A1 Indenoindolone compounds LES LABORATOIRES SERVIER (FR) 2002-11-21 US disclosed
EP-1245565-A1 Indenoindolone derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-10-02 EP disclosed
WO-2002022586-A1 INDAZOLES HAVING AN ACTION SIMILAR TO THAT OF A THYROID HORMONE, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 WO disclosed
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed
EP-0008658-B1 ALPHA-ETHINYL-ALPHA-AMINOACIDS AND THEIR ESTERS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-12-01 EP disclosed
EP-0008658-A1 Alpha-ethinyl-alpha-aminoacids and their esters, and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-03-19 EP 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 (10 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-20240308986-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS ESR2, GPER1, ESR1 BACE1 2861/4885MAOB 2697/4885MAOA 2604/4885
US-20220332704-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS ESR2, GPER1, ESR1 BACE1 2861/4885MAOB 2697/4885MAOA 2604/4885
US-12391677-B2 Thyroid hormone receptor agonists TSHR, THRA, TRHR BACE1 4110/4885MAOB 3498/4885MAOA 3449/4885
US-11384068-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 BACE1 2861/4885MAOB 2697/4885MAOA 2604/4885
US-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 BACE1 2861/4885MAOB 2697/4885MAOA 2604/4885
US-20250340542-A1 THYROID HORMONE RECEPTOR AGONISTS TSHR, THRA, TRHR BACE1 3968/4885MAOB 3440/4885MAOA 3388/4885
US-11434196-B2 Process for preparation of 2-Amino-5-hydroxy propiophenone DHPS, CYP3A5, CYP3A43 BACE1 2730/4885MAOB 1929/4885MAOA 2589/4885
US-20020193610-A1 Indazoles CYP3A43, CYP3A5, CYP3A4 BACE1 787/4885MAOB 909/4885MAOA 722/4885
US-12497386-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 BACE1 2861/4885MAOB 2697/4885MAOA 2604/4885
US-20020173531-A1 Indenoindolone compounds MTNR1A, MTNR1B, CYP11B1 BACE1 1616/4885MAOB 550/4885MAOA 535/4885

“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.