SCHEMBL1853113

SCHEMBL1853113

Nc1ccc(N2CCOCC2)cc1I

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 5/20 0.67
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALOX15 P16050 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL30561869 1.00 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL904452 0.83 LGMN (0.73) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL1850980 0.83 GAA (0.56) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL30561859 0.81 MAPT (0.65) LGMNMAPTALOX15NPC1RAB9A
SCHEMBL22716931 0.80 LGMN (1.00) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL520439 0.79 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL31473820 0.79 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL78755 0.79 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL8060791 0.79 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1
SCHEMBL17742335 0.79 LGMN (0.67) LGMNMAPTSMN1; SMN2ALOX15NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-116836130-B Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-11-21 CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 CN disclosed
CN-116836130-A Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-10-03 CN disclosed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 US disclosed
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-05-04 US disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 WO disclosed
WO-2021073498-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF 贝达药业股份有限公司 2021-04-22 WO disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA LGMN 4693/4885MAPT 955/4885SMN1; SMN2 1521/4885
US-20230133169-A1 EGFR INHIBITOR, COMPOSITION, AND METHOD FOR PREPARATION THEREOF EGFR, ERBB2, ERBB3 LGMN 1356/4885MAPT 2358/4885SMN1; SMN2 4764/4885

“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.