SCHEMBL4943208

SCHEMBL4943208

ONCc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 2/20 0.58
▸ ATG4B Q9Y4P1 2/20 0.58
▸ IDO1 P14902 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ LMNA P02545 4/20 0.52
▸ HPGD P15428 3/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ HTT P42858 2/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL10514895 0.97 PLA2G1B (0.56) PLA2G1BATG4BIDO1THRBCYP3A4
SCHEMBL12271490 0.82 MAOB (0.61) KMT2AALDH1A1
SCHEMBL22129790 0.78 PLA2G1B (0.56) PLA2G1BATG4BIDO1CYP3A4CYP2D6
SCHEMBL1796909 0.78 LMNA (0.77) PLA2G1BATG4BIDO1CYP3A4CYP2D6
SCHEMBL184001 0.78 LMNA (0.77) PLA2G1BATG4BIDO1CYP3A4CYP2D6
SCHEMBL6895044 0.76 THRB (0.59) IDO1THRBKMT2A
Hydrochloric Acid SCHEMBL6077029 0.76 LMNA (0.74) PLA2G1BATG4BCYP3A4CYP2D6CYP2C9
SCHEMBL17122900 0.76 IDO1 (0.55) PLA2G1BATG4BIDO1CYP3A4CYP2D6
SCHEMBL17065246 0.76 THRB (0.59) IDO1THRBCYP3A4CYP2C19LMNA
SCHEMBL1777533 0.76 PLA2G1B (0.54) PLA2G1BATG4BIDO1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902382-A1 Primary hydroxylamines and uses thereof Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2015-08-05 — — EP claimed
US-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 — — US claimed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 — — US claimed
US-12129221-B2 Difluoro phenyl amide RIP1 inhibitor SIRONAX LTD (KY) 2024-10-29 — — US disclosed
CN-113272272-B RIP1 inhibitors 圣瑞诺有限公司 2023-04-07 — — CN disclosed
EP-3883918-A1 RIP1 INHIBITORS Sironax Ltd (KY) 2021-09-29 — — EP disclosed
US-20210284598-A1 RIP1 Inhibitors SIRONAX LTD (KY) 2021-09-16 — — US disclosed
CN-113272272-A RIP1 inhibitors 圣瑞诺有限公司 2021-08-17 — — CN disclosed
EP-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 — — EP disclosed
US-10954225-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 — — US disclosed
US-10954225-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 — — US disclosed
US-7507838-B2 Process for the preparation of Z-5-carboxymethylene-1,3-dioxolan-4-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 — — US disclosed
US-20080268537-A1 PRIMARY N-HYDROXYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-30 — — US disclosed
WO-2007015775-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO disclosed
US-6906046-B2 Pharmaceutical uses and synthesis of benzobicyclooctanes CELLTECH R & D INC. (US) 2005-06-14 — — US disclosed
US-20030069305-A1 Pharmaceutical uses and synthesis of benzobicyclooctanes CELLTECH R & D, INC. 2003-04-10 — — US disclosed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 — — US disclosed
WO-2002051851-A2 PHARMACEUTICAL USES AND SYNTHESIS OF BENZOBICYCLOOCTANES CELLTECH R & D, INC. (US) 2002-07-04 — — WO disclosed
EP-0310061-A1 5-Mono or Disubstituted-3-(phenyl or 2-naphthalenyl)-3-[(1H-imidazol-1-ylmethyl) or (1H-1,2,4-triazol-1-ylmethyl)]-2-(methyl or benzyl)isoxazolidines FISONS CORPORATION (US) 1989-04-05 — — EP disclosed
US-4749793-A 5-substituted-3-phenyl-3-[1H-imidazol-1-ylmethyl) or (1H-1,2,4-triazol-1-ylmethyl]-2-benzylisoxazolidines (ir 3011) PENNWALT CORPORATION (US) 1988-06-07 — — 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 (4 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-20210284598-A1 RIP1 Inhibitors RIPK1, RIPK3, RIPK4 PLA2G1B 3694/4885ATG4B 1030/4885IDO1 832/4885
US-20030069305-A1 Pharmaceutical uses and synthesis of benzobicyclooctanes CXCL8, CASP8, IL18 PLA2G1B 2348/4885ATG4B 1935/4885IDO1 2479/4885
US-10954225-B2 Selective NR2B antagonists GRIN2B, GRIN2A, GRIN1 PLA2G1B 3207/4885ATG4B 4630/4885IDO1 4175/4885
US-12129221-B2 Difluoro phenyl amide RIP1 inhibitor RIPK1, RIPK3, RIPK4 PLA2G1B 3150/4885ATG4B 1449/4885IDO1 1210/4885

“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.

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