SCHEMBL5536053

SCHEMBL5536053

CN(C)c1cccc(NC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM1A O60341 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.41
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
EGFR P00533 1/20 0.40
HIF1A Q16665 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
SCHEMBL18654163 0.81 HDAC6 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1588981 0.81 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL11332567 0.80 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12129057 0.79 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11130027 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1HDAC4MEF2D
SCHEMBL3030672 0.77 KDM1A (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28971850 0.77 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL222553 0.75 LMNA (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1268756 0.75 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31726567 0.75 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-112673059-B Clarifying agent blends for optimum performance 弗纳技术股份有限公司 2023-02-28 CN disclosed
EP-3984991-A1 METHOD FOR SYNTHESIZING ATORVASTATIN CALCIUM INTERMEDIATE BY USING MULTI-COMPONENT ONE-POT METHOD Zhejiang Hongyuan Pharma Co., Ltd (CN) 2022-04-20 EP disclosed
CN-112673059-A Clarifying agent blends for optimum performance 弗纳技术股份有限公司 2021-04-16 CN disclosed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885MAPT 4117/4885SMN1; SMN2 3985/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885MAPT 3367/4885SMN1; SMN2 2197/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 ALDH1A1 4142/4885MAPT 3859/4885SMN1; SMN2 2606/4885

“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.