SCHEMBL4392250

SCHEMBL4392250

CC(C)(C)OC(=O)NCCCNC(=S)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 7/20 0.51
LMNA P02545 6/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 6/20 0.51
POLB P06746 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ABAT P80404 1/20 0.50
XBP1 P17861 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ALOX12 P18054 1/20 0.49
NPC1 O15118 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL4396662 0.97 KMT2A (0.54) KMT2AALDH1A1LMNARAB9AL3MBTL1
SCHEMBL1258720 0.96 ALDH1A1 (0.53) KMT2AALDH1A1LMNARAB9AL3MBTL1
SCHEMBL4401844 0.94 KMT2A (0.56) KMT2AALDH1A1LMNARAB9AL3MBTL1
SCHEMBL4402193 0.87 CYP17A1 (0.49) KMT2ALMNAGAAHTTSMN1; SMN2
SCHEMBL31617997 0.86 EPHX1 (0.58) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL4396949 0.85 KMT2A (0.64) KMT2AALDH1A1LMNAGAAMAPT
SCHEMBL5100819 0.84 ALDH1A1 (0.51) KMT2AALDH1A1LMNARAB9AGAA
SCHEMBL5097622 0.83 ALDH1A1 (0.50) KMT2AALDH1A1LMNARAB9AGAA
SCHEMBL10126784 0.83 MEN1 (0.53) KMT2AALDH1A1GAAMAPTNPSR1
SCHEMBL4394067 0.83 LMNA (0.60) KMT2AALDH1A1LMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 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 (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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 KMT2A 2344/4885ALDH1A1 3257/4885LMNA 4315/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 KMT2A 2559/4885ALDH1A1 3404/4885LMNA 3956/4885

“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.