SCHEMBL4643645

SCHEMBL4643645

O=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.57
CTSL P07711 4/20 0.57
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 6/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
VCAM1 P19320 1/20 0.48

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
SCHEMBL649491 0.89 MAPT (0.55) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL5640804 0.88 CTSV (0.56) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL811412 0.87 MEN1 (0.57) CTSVCTSLALDH1A1LMNAMAPT
SCHEMBL6927965 0.86 ALDH1A1 (0.67) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4319388 0.86 ALDH1A1 (0.54) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL7040233 0.85 CTSV (0.54) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL7040236 0.85 CTSV (0.54) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL6984784 0.85 MAPT (0.60) CTSVCTSLALDH1A1LMNACYP1A2
SCHEMBL26654775 0.84 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4290434 0.83 POLB (0.55) CTSVCTSLALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-118666704-A Synthesis method of formoterol 山东新时代药业有限公司 2024-09-20 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
CN-113382767-A Substituted urea compounds 第一三共株式会社 2021-09-10 CN disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
US-5306726-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as hypoglycemic agents PFIZER INC. (US) 1994-04-26 US disclosed
US-5232945-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as antihypertensives PFIZER INC. (US) 1993-08-03 US disclosed
EP-0533781-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS. PFIZER (US) 1993-03-31 EP disclosed
WO-1991019702-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1991-12-26 WO disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 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 (1 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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CTSV 4095/4885CTSL 3966/4885ALDH1A1 4807/4885

“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.