SCHEMBL6443516

SCHEMBL6443516

CCC(=O)OCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
CYP19A1 P11511 8/20 0.47
CYP17A1 P05093 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7641621 0.86 ALDH1A1 (0.52) KMT2APOLBALDH1A1L3MBTL1MAPK1
SCHEMBL19308459 0.85 NAMPT (0.47) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL28997377 0.84 POLB (0.53) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL27809176 0.84 NAMPT (0.56) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL14062590 0.83 CYP19A1 (0.46) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL9867427 0.81 POLB (0.47) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL23049788 0.81 CYP19A1 (0.47) NAMPTCYP19A1CYP17A1KDM4EKMT2A
SCHEMBL18087031 0.80 ALDH1A1 (0.47) KMT2AALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL126010 0.80 KMT2A (0.57) KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL2623828 0.80 RXRA (0.47) KDM4EKMT2APOLBALDH1A1L3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 US disclosed
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-13 US disclosed
WO-2020133091-A1 PYRIDYLOXY CARBOXYLATE DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2020-07-02 WO disclosed
US-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
CN-1133625-C Quinazoline derivatives 2004-01-07 CN disclosed
CN-1114591-C cyclic amide compound KOWA CO (JP) 2003-07-16 CN disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
CN-1291186-A Cyclic amide compounds KOWA CO (JP) 2001-04-11 CN disclosed
CN-1205694-A Quinazoline derivatives ZENECA LTD (GB) 1999-01-20 CN disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (5 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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 NAMPT 2727/4885CYP19A1 1256/4885CYP17A1 2178/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 NAMPT 1619/4885CYP19A1 615/4885CYP17A1 284/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 NAMPT 498/4885CYP19A1 1467/4885CYP17A1 908/4885
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 NAMPT 990/4885CYP19A1 848/4885CYP17A1 656/4885
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS PHGDH, G6PD, PHPT1 NAMPT 2727/4885CYP19A1 1256/4885CYP17A1 2178/4885

“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.