SCHEMBL4099418

SCHEMBL4099418

NNc1ccc(C=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ GAA P10253 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KCNJ1 P48048 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ STS P08842 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH5A1 P51649 1/20 0.33
▸ ABAT P80404 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2766191 0.79 HCAR3 (0.48) KDM4EMAPTALDH1A1L3MBTL1KCNJ1
SCHEMBL30753556 0.79 HCAR3 (0.48) KDM4EMAPTALDH1A1L3MBTL1KCNJ1
SCHEMBL19630947 0.76 HCAR3 (0.54) KDM4ELMNAALDH1A1L3MBTL1KCNJ1
SCHEMBL16436147 0.75 CYP11B1 (0.46) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2911125 0.75 RAB9A (0.46) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL29956458 0.75 KDM4E (0.39) KDM4EALDH1A1L3MBTL1KCNJ1POLB
SCHEMBL6890594 0.75 ALDH1A1 (0.36) KDM4EGAAMAPTLMNAMEN1
SCHEMBL29958408 0.75 HCAR3 (0.53) KDM4EALDH1A1L3MBTL1KCNJ1FDPS
Benzaldehyde SCHEMBL27567924 0.73 HCAR3 (0.55) ALDH1A1
SCHEMBL10548812 0.73 HCAR3 (0.56) KDM4EMAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 — — US claimed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 — — US claimed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 — — US claimed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 — — EP claimed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — WO claimed
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 — — WO disclosed
CN-117209476-A The method comprises the following steps of 99m Tc-labeled radioactive probe for targeting fibroblast activation protein and preparation method and application thereof 中山大学附属第一医院 2023-12-12 — — CN disclosed
EP-4126841-B1 COMPOUNDS FOR INHIBITION OF FIBROBLAST ACTIVATION PROTEIN USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2023-09-27 — — EP disclosed
WO-2021197519-A1 COMPOUNDS FOR INHIBITION OF FIBROBLAST ACTIVATION PROTEIN USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2021-10-07 — — WO disclosed
CN-104800865-A Targeted positron tracer for realizing PET (Positron Emission Tomography) imaging of positive tumors for HER2 (Human Epidermal Growth Factor Receptor 2) expression, and preparation method of targeted positron tracer FIRST AFFILIATED HOSPITAL MEDICAL COLLEGE XI AN JIAOTONG UNIV 2015-07-29 — — CN disclosed
CN-104800865-A Targeted positron tracer for realizing PET (Positron Emission Tomography) imaging of positive tumors for HER2 (Human Epidermal Growth Factor Receptor 2) expression, and preparation method of targeted positron tracer FIRST AFFILIATED HOSPITAL MEDICAL COLLEGE XI AN JIAOTONG UNIV 2015-07-29 — — CN disclosed
CN-104031139-A Positive electron medicine for alzheimers disease PET (Positron Emission Tomography) imaging and preparation method of positive electron medicine FIRST AFFILIATED HOSPITAL MEDICAL COLLEGE XI AN JIAOTONG UNIV 2014-09-10 — — CN disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 — — US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 — — US disclosed
EP-0862464-B1 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2012-08-22 — — EP disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 — — US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 — — EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — WO disclosed
EP-1068222-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER Du Pont Pharmaceuticals Company (US) 2001-01-17 — — EP disclosed
WO-1999051628-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 — — 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ KDM4E 4132/4885GAA 2298/4885MAPT 3084/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS KDM4E 4029/4885GAA 2120/4885MAPT 3252/4885

“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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