SCHEMBL5029

SCHEMBL5029

O=C=NCc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.63
IDO1 P14902 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TAAR1 Q96RJ0 3/20 0.38
TRPA1 O75762 2/20 0.38
PYCR1 P32322 1/20 0.37
CTBP2 P56545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AGXT P21549 2/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
FFAR1 O14842 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL21089 0.88 MIF (0.44) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL14972874 0.85 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL22471901 0.85 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL29040332 0.85 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL19857227 0.84 MIF (0.47) MIFIDO1LOXL2TAAR1PYCR1
SCHEMBL27570115 0.82 MIF (0.42) MIFTRPA1CYP3A4TSHRALDH1A1
Cyclohexane SCHEMBL28302863 0.81 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL5466297 0.81 CYP3A4 (0.54) MIFTRPA1KDM4ECYP3A4TSHR
SCHEMBL31094964 0.81 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL24833766 0.79 MIF (0.39) MIFTRPA1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353847-A1 CRYSTALLINE FORMS OF AN AKRIC3 DEPENDENT KARS INHIBITOR NOVARTIS AG (CH) 2025-11-20 US claimed
EP-4562010-A1 CRYSTALLINE FORMS OF AN AKR1C3 DEPENDENT KARS INHIBITOR Novartis AG (CH) 2025-06-04 EP claimed
CN-119301125-A Crystalline forms of AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2025-01-10 CN claimed
WO-2024023666-A1 CRYSTALLINE FORMS OF AN AKR1C3 DEPENDENT KARS INHIBITOR NOVARTIS AG (CH) 2024-02-01 WO claimed
US-10734683-B2 Additive containing electrolytes for high energy rechargeable metal anode batteries Viking Power Systems Pte. Ltd. (SG) 2020-08-04 US claimed
EP-3497738-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES Pellion Technologies Inc. (US) 2019-06-19 EP claimed
CN-109804487-A The electrolyte comprising additive for high-energy rechargeable metal anode battery 派立昂技术公司 2019-05-24 CN claimed
US-20180048017-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES PELLION TECHNOLOGIES, INC. (US) 2018-02-15 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250388604-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2025-12-25 US disclosed
US-20250353847-A1 CRYSTALLINE FORMS OF AN AKRIC3 DEPENDENT KARS INHIBITOR NOVARTIS AG (CH) 2025-11-20 US disclosed
WO-2025226892-A1 SPIROCYCLE-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-10-30 WO disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 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 (2 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-20250353847-A1 CRYSTALLINE FORMS OF AN AKRIC3 DEPENDENT KARS INHIBITOR AKR1C3, AKR1C1, AKR1C2 MIF 4239/4885IDO1 4279/4885LOXL2 4547/4885
US-20250388604-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B MIF 4006/4885IDO1 3249/4885LOXL2 2463/4885

“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.